propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[3-[(phenylmethyl)carbamoylamino]propanoylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[3-[(phenylmethyl)carbamoylamino]propanoylamino]propanoate Openeye Name: isopropyl (3S)-3-[3-(benzylcarbamoylamino)propanoylamino]-3-(4-methoxyphenyl)propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-[[1-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-[3-(benzylcarbamoylamino)propanoylamino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3S)-3-[3-(benzylcarbamoylamino)propanoylamino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CCNC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)CCNC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C24H31N3O5/c1-17(2)32-23(29)15-21(19-9-11-20(31-3)12-10-19)27-22(28)13-14-25-24(30)26-16-18-7-5-4-6-8-18/h4-12,17,21H,13-16H2,1-3H3,(H,27,28)(H2,25,26,30)/t21-/m0/s1