tert-butyl 4-methyl-2-[(2-oxidanylidene-2-pyrrolidin-2-yl-ethanoyl)-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate

Systemtic Name: tert-butyl 4-methyl-2-[(2-oxidanylidene-2-pyrrolidin-2-yl-ethanoyl)-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Openeye Name: tert-butyl 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]-(2-oxo-2-pyrrolidin-2-yl-acetyl)amino]-4-methyl-pentanoate CAS Name: 2-[[1,2-dioxo-2-(2-pyrrolidinyl)ethyl]-[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-2-[(2-oxo-2-pyrrolidin-2-ylacetyl)-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]-(2-keto-2-pyrrolidin-2-yl-acetyl)amino]-4-methyl-valeric acid tert-butyl ester Formula: C33H43N3O7 MolecularWeight: 593.71042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)C(=O)C3CCCN3

Isomeric SMILES

CC(C)CC(C(=O)OC(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(=O)C(=O)C3CCCN3

InChI

InChI=1S/C33H43N3O7/c1-22(2)19-27(31(40)43-33(3,4)5)36(30(39)28(37)25-17-12-18-34-25)29(38)26(20-23-13-8-6-9-14-23)35-32(41)42-21-24-15-10-7-11-16-24/h6-11,13-16,22,25-27,34H,12,17-21H2,1-5H3,(H,35,41)