2-oxidanylidene-2-[(phenylmethyl)-[[4-(tridecanoylamino)phenyl]methyl]amino]ethanoic acid

Systemtic Name: 2-oxidanylidene-2-[(phenylmethyl)-[[4-(tridecanoylamino)phenyl]methyl]amino]ethanoic acid Openeye Name: 2-[benzyl-[[4-(tridecanoylamino)phenyl]methyl]amino]-2-oxo-acetic acid CAS Name: 2-oxo-2-[[4-(1-oxotridecylamino)phenyl]methyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[[4-(tridecanoylamino)phenyl]methyl]amino]-2-oxoacetic acid Traditional Name: 2-[benzyl-[4-(tridecanoylamino)benzyl]amino]-2-keto-acetic acid Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C(=O)O

InChI

InChI=1S/C29H40N2O4/c1-2-3-4-5-6-7-8-9-10-14-17-27(32)30-26-20-18-25(19-21-26)23-31(28(33)29(34)35)22-24-15-12-11-13-16-24/h11-13,15-16,18-21H,2-10,14,17,22-23H2,1H3,(H,30,32)(H,34,35)