ethyl (2S)-4-[(3-azanyl-3-oxidanylidene-propyl)-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]amino]-2-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: ethyl (2S)-4-[(3-azanyl-3-oxidanylidene-propyl)-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]amino]-2-oxidanyl-4-oxidanylidene-butanoate Openeye Name: ethyl (2S)-4-[(3-amino-3-oxo-propyl)-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]amino]-2-hydroxy-4-oxo-butanoate CAS Name: (2S)-4-[(3-amino-3-oxopropyl)-[[(2S)-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxo-3-phenylpropyl]amino]amino]-2-hydroxy-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-[(3-amino-3-oxopropyl)-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]amino]-2-hydroxy-4-oxobutanoate Traditional Name: (2S)-4-[(3-amino-3-keto-propyl)-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]amino]-2-hydroxy-4-keto-butyric acid ethyl ester Formula: C32H43N5O9 MolecularWeight: 641.71192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)N(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)[C@H](CC(=O)N(CCC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C32H43N5O9/c1-4-45-31(43)26(38)19-28(40)37(16-15-27(33)39)36-30(42)25(18-22-11-7-5-8-12-22)34-29(41)24(17-21(2)3)35-32(44)46-20-23-13-9-6-10-14-23/h5-14,21,24-26,38H,4,15-20H2,1-3H3,(H2,33,39)(H,34,41)(H,35,44)(H,36,42)/t24-,25-,26-/m0/s1