(phenylmethyl) (2S)-2-[(1-azanylcyclopentyl)carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(1-azanylcyclopentyl)carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: benzyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-[[(1-aminocyclopentyl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propionic acid benzyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C3(CCCC3)N

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)C3(CCCC3)N

InChI

InChI=1S/C23H28N2O4/c1-28-19-11-9-17(10-12-19)15-20(25-22(27)23(24)13-5-6-14-23)21(26)29-16-18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16,24H2,1H3,(H,25,27)/t20-/m0/s1