2-[[3-[4-[(2S)-2-[(2-chlorophenyl)carbonylamino]-3-methoxy-3-oxidanylidene-propyl]phenyl]phenyl]methyl-methoxycarbonyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[4-[(2S)-2-[(2-chlorophenyl)carbonylamino]-3-methoxy-3-oxidanylidene-propyl]phenyl]phenyl]methyl-methoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[[3-[4-[(2S)-2-[(2-chlorobenzoyl)amino]-3-methoxy-3-oxo-propyl]phenyl]phenyl]methyl-methoxycarbonyl-amino]acetic acid CAS Name: 2-[[3-[4-[(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methoxy-3-oxopropyl]phenyl]phenyl]methyl-methoxycarbonylamino]acetic acid IUPAC Name: 2-[[3-[4-[(2S)-2-[(2-chlorobenzoyl)amino]-3-methoxy-3-oxopropyl]phenyl]phenyl]methyl-methoxycarbonylamino]acetic acid Traditional Name: 2-[carbomethoxy-[3-[4-[(2S)-2-[(2-chlorobenzoyl)amino]-3-keto-3-methoxy-propyl]phenyl]benzyl]amino]acetic acid Formula: C28H27ClN2O7 MolecularWeight: 538.97618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CC(=CC=C2)CN(CC(=O)O)C(=O)OC)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C2=CC(=CC=C2)CN(CC(=O)O)C(=O)OC)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C28H27ClN2O7/c1-37-27(35)24(30-26(34)22-8-3-4-9-23(22)29)15-18-10-12-20(13-11-18)21-7-5-6-19(14-21)16-31(17-25(32)33)28(36)38-2/h3-14,24H,15-17H2,1-2H3,(H,30,34)(H,32,33)/t24-/m0/s1