ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-(2,2-dimethylpropanoyloxy)butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate CAS Name: (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethyl-1-oxopropoxy)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-4-methyl-1-oxopentyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-(2,2-dimethylpropanoyloxy)-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-pivaloyloxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid ethyl ester Formula: C34H50N4O9 MolecularWeight: 658.7822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)C(C(C)OC(=O)C(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)OC(=O)C(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C34H50N4O9/c1-8-45-27(39)15-14-25(19-24-16-17-35-29(24)40)36-30(41)26(18-21(2)3)37-31(42)28(22(4)47-32(43)34(5,6)7)38-33(44)46-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,35,40)(H,36,41)(H,37,42)(H,38,44)/b15-14+/t22?,24-,25+,26-,28-/m0/s1