9922398 -OEChem-03292402482D 40 40 0 1 0 0 0 0 0999 V2000 5.3710 -0.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5514 1.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 2.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1752 -1.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4810 -2.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 1.2098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 0.8497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9030 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 0.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8572 0.9008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0652 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0162 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 1.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2241 -1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 1.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8382 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9678 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2965 1.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0276 1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2839 0.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 1.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3965 0.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4455 -0.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9789 -0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -0.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.3457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6358 -0.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1025 0.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 -2.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0122 1.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3041 -2.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 20 1 0 0 0 0 3 39 1 0 0 0 0 4 20 2 0 0 0 0 5 21 1 0 0 0 0 5 40 1 0 0 0 0 6 21 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 14 1 0 0 0 0 16 8 1 1 0 0 0 8 29 1 0 0 0 0 9 18 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 1 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 M END > 9922398 > 1 > 439 > 7 > 4 > 7 > AAADceBzOAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACAPAAgAIAAGQGAAAAAAAAAAAAIGIAAACQBIAgCAUQAAEFgCQAAC8JwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid > (2R)-2-[[[(2S)-1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]pentanedioic acid > (2R)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid > (2R)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid > (2R)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]pentanedioic acid > (2R)-2-[[(2S)-1-glycylprolyl]amino]glutaric acid > InChI=1S/C12H19N3O6/c13-6-9(16)15-5-1-2-8(15)11(19)14-7(12(20)21)3-4-10(17)18/h7-8H,1-6,13H2,(H,14,19)(H,17,18)(H,20,21)/t7-,8+/m1/s1 > JJGBXTYGTKWGAT-SFYZADRCSA-N > -5.1 > 301.12738533 > C12H19N3O6 > 301.30 > C1CC(N(C1)C(=O)CN)C(=O)NC(CCC(=O)O)C(=O)O > C1C[C@H](N(C1)C(=O)CN)C(=O)N[C@H](CCC(=O)O)C(=O)O > 150 > 301.12738533 > 0 > 21 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 5 16 8 5 $$$$