(phenylmethyl) 4-[[4-azanyl-1,4-bis(oxidanylidene)-1-[(2-oxidanyl-4-phenyl-butyl)amino]butan-2-yl]carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 4-[[4-azanyl-1,4-bis(oxidanylidene)-1-[(2-oxidanyl-4-phenyl-butyl)amino]butan-2-yl]carbamoyl]benzoate Openeye Name: benzyl 4-[[3-amino-1-[(2-hydroxy-4-phenyl-butyl)carbamoyl]-3-oxo-propyl]carbamoyl]benzoate CAS Name: 4-[[[4-amino-1-[(2-hydroxy-4-phenylbutyl)amino]-1,4-dioxobutan-2-yl]amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[4-amino-1-[(2-hydroxy-4-phenylbutyl)amino]-1,4-dioxobutan-2-yl]carbamoyl]benzoate Traditional Name: 4-[[3-amino-1-[(2-hydroxy-4-phenyl-butyl)carbamoyl]-3-keto-propyl]carbamoyl]benzoic acid benzyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CNC(=O)C(CC(=O)N)NC(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(CNC(=O)C(CC(=O)N)NC(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C29H31N3O6/c30-26(34)17-25(28(36)31-18-24(33)16-11-20-7-3-1-4-8-20)32-27(35)22-12-14-23(15-13-22)29(37)38-19-21-9-5-2-6-10-21/h1-10,12-15,24-25,33H,11,16-19H2,(H2,30,34)(H,31,36)(H,32,35)