89862 -OEChem-03282408582D 39 39 0 1 0 0 0 0 0999 V2000 5.4641 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 3 14 2 0 0 0 0 4 17 1 0 0 0 0 4 39 1 0 0 0 0 5 17 2 0 0 0 0 8 6 1 6 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 13 7 1 1 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END > 89862 > 1 > 380 > 6 > 3 > 8 > AAADceBzOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjBmAYyCILABgCIAiHSGAACAAAgAAAIiIGIAIgKIDqA0TGFYAAklgCYiAe/yKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-amino-4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid > (2S)-2-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid > (2S)-2-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid > (2S)-2-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid > (2S)-2-azanyl-4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid > (2S)-2-amino-4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid > InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-12(17)8-10(15)13(18)19/h2-6,10-11H,7-8,15H2,1H3,(H,16,17)(H,18,19)/t10-,11-/m0/s1 > SHHIPKDJQYIJJF-QWRGUYRKSA-N > -2.7 > 294.12157168 > C14H18N2O5 > 294.30 > COC(=O)C(CC1=CC=CC=C1)NC(=O)CC(C(=O)O)N > COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[C@@H](C(=O)O)N > 119 > 294.12157168 > 0 > 21 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 8 10 16 8 15 18 8 16 19 8 18 20 8 19 20 8 8 6 6 13 7 5 $$$$