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

Systemtic Name: (phenylmethyl) (2S)-2-[(1-azanylcyclopentyl)carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: benzyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(1-aminocyclopentyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propionic acid benzyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(C1)(C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N2O4/c23-22(12-4-5-13-22)21(27)24-19(14-16-8-10-18(25)11-9-16)20(26)28-15-17-6-2-1-3-7-17/h1-3,6-11,19,25H,4-5,12-15,23H2,(H,24,27)/t19-/m0/s1