(phenylmethyl) 2-[[(2S)-1-azanyl-1,5-bis(oxidanylidene)-5-phenylmethoxy-pentan-2-yl]carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 2-[[(2S)-1-azanyl-1,5-bis(oxidanylidene)-5-phenylmethoxy-pentan-2-yl]carbamoyl]benzoate Openeye Name: benzyl 2-[[(1S)-4-benzyloxy-1-carbamoyl-4-oxo-butyl]carbamoyl]benzoate CAS Name: 2-[[[(2S)-1-amino-1,5-dioxo-5-phenylmethoxypentan-2-yl]amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2S)-1-amino-1,5-dioxo-5-phenylmethoxypentan-2-yl]carbamoyl]benzoate Traditional Name: 2-[[(1S)-4-benzoxy-1-carbamoyl-4-keto-butyl]carbamoyl]benzoic acid benzyl ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(C(=O)N)NC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)N)NC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26N2O6/c28-25(31)23(15-16-24(30)34-17-19-9-3-1-4-10-19)29-26(32)21-13-7-8-14-22(21)27(33)35-18-20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H2,28,31)(H,29,32)/t23-/m0/s1