70693376 -OEChem-05062401242D 68 70 0 1 0 0 0 0 0999 V2000 8.8564 2.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 0.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4168 2.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.5613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 0.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.3397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 -0.5149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.5118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8994 2.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 3.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.5954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5458 1.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 3.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.1800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 -1.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 2.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7705 3.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4383 2.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 1.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3525 2.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 1.7682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4027 3.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 0.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -1.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0037 4.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 4.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0808 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3164 2.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7953 3.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0607 4.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7781 1.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0210 0.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4822 2.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8890 2.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -1.2119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -1.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9565 1.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3779 3.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9634 -0.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9426 -0.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5417 1.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9631 4.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6094 3.5447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 18 2 0 0 0 0 3 26 2 0 0 0 0 4 35 1 0 0 0 0 4 68 1 0 0 0 0 10 5 1 1 0 0 0 5 18 1 0 0 0 0 5 40 1 0 0 0 0 6 14 1 0 0 0 0 19 6 1 1 0 0 0 6 51 1 0 0 0 0 13 7 1 1 0 0 0 7 55 1 0 0 0 0 7 56 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 57 1 0 0 0 0 9 26 1 0 0 0 0 9 64 1 0 0 0 0 9 65 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 21 25 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 24 54 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 27 29 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 31 33 1 0 0 0 0 31 62 1 0 0 0 0 32 34 2 0 0 0 0 32 63 1 0 0 0 0 33 35 2 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 34 67 1 0 0 0 0 M END > 70693376 > 1 > 725 > 5 > 6 > 11 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQCAAADSzBngQ+xvLJkgCoAzV3VACCgCAxIiAI2aG+bJgIZvLCkbOUcAhk1hHI2AeYyeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanamide > (2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanamide > (2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanamide > (2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanamide > (2S)-N-[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanamide > (2S)-N-[(1S)-2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeramide > InChI=1S/C26H33N5O4/c1-15(2)11-23(26(35)30-22(24(28)33)12-16-7-9-18(32)10-8-16)31-25(34)20(27)13-17-14-29-21-6-4-3-5-19(17)21/h3-10,14-15,20,22-23,29,32H,11-13,27H2,1-2H3,(H2,28,33)(H,30,35)(H,31,34)/t20-,22-,23-/m0/s1 > GGFDLHMXTGWZKG-PMVMPFDFSA-N > 1.6 > 479.25325455 > C26H33N5O4 > 479.6 > CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)N > CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N > 163 > 479.25325455 > 0 > 35 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 22 8 20 24 8 22 23 8 22 27 8 23 28 8 25 31 8 25 32 8 27 29 8 28 30 8 29 30 8 31 33 8 32 34 8 33 35 8 34 35 8 10 5 5 19 6 5 13 7 5 8 23 8 8 24 8 $$$$