methyl 4-[[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]prolyl]amino]methyl]benzoic acid methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2CCCN2C(=O)CC(CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C24H29N3O4/c1-31-24(30)19-11-9-18(10-12-19)16-26-23(29)21-8-5-13-27(21)22(28)15-20(25)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,20-21H,5,8,13-16,25H2,1H3,(H,26,29)/t20-,21+/m1/s1