O7-tert-butyl O1-ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]hept-2-enedioate

Systemtic Name: O7-tert-butyl O1-ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]hept-2-enedioate Openeye Name: O7-tert-butyl O1-ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hept-2-enedioate CAS Name: (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxo-3-phenylpropyl]amino]-2-heptenedioic acid O7-tert-butyl ester O1-ethyl ester IUPAC Name: 7-O-tert-butyl 1-O-ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hept-2-enedioate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hept-2-enedioic acid O7-tert-butyl ester O1-ethyl ester Formula: C36H49N3O8 MolecularWeight: 651.78956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H49N3O8/c1-7-45-31(40)20-18-28(19-21-32(41)47-36(4,5)6)37-33(42)30(23-26-14-10-8-11-15-26)38-34(43)29(22-25(2)3)39-35(44)46-24-27-16-12-9-13-17-27/h8-18,20,25,28-30H,7,19,21-24H2,1-6H3,(H,37,42)(H,38,43)(H,39,44)/b20-18+/t28-,29+,30+/m1/s1