(phenylmethyl) 5-(octylamino)-5-oxidanylidene-4-(2-phenylethanoylamino)pentanoate

Systemtic Name: (phenylmethyl) 5-(octylamino)-5-oxidanylidene-4-(2-phenylethanoylamino)pentanoate Openeye Name: benzyl 5-(octylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoate CAS Name: 5-(octylamino)-5-oxo-4-[(1-oxo-2-phenylethyl)amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(octylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoate Traditional Name: 5-keto-5-(octylamino)-4-[(2-phenylacetyl)amino]valeric acid benzyl ester Formula: C28H38N2O4 MolecularWeight: 466.61232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C28H38N2O4/c1-2-3-4-5-6-13-20-29-28(33)25(30-26(31)21-23-14-9-7-10-15-23)18-19-27(32)34-22-24-16-11-8-12-17-24/h7-12,14-17,25H,2-6,13,18-22H2,1H3,(H,29,33)(H,30,31)