CC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)[C@H](C)CC)c1ccccc1

이름: N-benzyloxycarbonyl-β-benzyl-L-aspartyl-D-isoleucine (S)-α-ethylbenzylamide

IUPAC: (3S)-2-benzyl-4-[[(2R,3R)-3-methyl-1-oxo-1-[[(1S)-1-phenylpropyl]amino]pentan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

SMILES: CC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)[C@H](C)CC)c1ccccc1

Canonical SMILES: CCC(C)C(C(=O)NC(CC)C1=CC=CC=C1)NC(=O)C(C(CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

분자식: C34H41N3O6

분자량: 587.70

InChIKey: BFNDXKDRJXXFEU-WZSVNGJASA-N

InChI:

InChI=1S/C34H41N3O6/c1-4-23(3)29(31(38)35-28(5-2)26-19-13-8-14-20-26)36-32(39)30(27(33(40)41)21-24-15-9-6-10-16-24)37-34(42)43-22-25-17-11-7-12-18-25/h6-20,23,27-30H,4-5,21-22H2,1-3H3,(H,35,38)(H,36,39)(H,37,42)(H,40,41)/t23-,27?,28+,29-,30+/m1/s1

PubChem CID: 53679369 →

동의어

BFNDXKDRJXXFEU-WZSVNGJASA-NN-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-isoleucine (S)-alpha-ethylbenzylamide

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