[3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-butyl] 2-acetamido-6-chloranyl-benzoate

Systemtic Name: [3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-butyl] 2-acetamido-6-chloranyl-benzoate Openeye Name: [3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-oxo-butyl] 2-acetamido-6-chloro-benzoate CAS Name: 2-acetamido-6-chlorobenzoic acid [3-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-oxobutyl] ester IUPAC Name: [3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxobutyl] 2-acetamido-6-chlorobenzoate Traditional Name: 2-acetamido-6-chloro-benzoic acid [3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-keto-butyl] ester Formula: C27H32ClN3O7 MolecularWeight: 546.01188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)COC(=O)C1=C(C=CC=C1Cl)NC(=O)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(C)C(=O)COC(=O)C1=C(C=CC=C1Cl)NC(=O)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H32ClN3O7/c1-16(2)13-22(31-27(36)38-14-19-9-6-5-7-10-19)25(34)29-17(3)23(33)15-37-26(35)24-20(28)11-8-12-21(24)30-18(4)32/h5-12,16-17,22H,13-15H2,1-4H3,(H,29,34)(H,30,32)(H,31,36)