tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(2-phenoxyethanoylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(2-phenoxyethanoylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-4-oxo-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-1,4-dioxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]-2-hydroxy-1-(1-oxo-4-phenylbutyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-amino-4-oxo-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[[4-amino-4-keto-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C31H40N4O8 MolecularWeight: 596.6713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)COC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)COC3=CC=CC=C3)O

InChI

InChI=1S/C31H40N4O8/c1-30(2,3)43-29(40)31(41)24(17-18-35(31)27(38)16-10-13-21-11-6-4-7-12-21)34-28(39)23(19-25(32)36)33-26(37)20-42-22-14-8-5-9-15-22/h4-9,11-12,14-15,23-24,41H,10,13,16-20H2,1-3H3,(H2,32,36)(H,33,37)(H,34,39)