(2S)-2-[(4-cyanophenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(4-cyanophenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(4-cyanophenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(4-cyanophenyl)methoxy-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(4-cyanophenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(4-cyanobenzyl)oxycarbonylamino]-3-(1H-indol-3-yl)propionic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O4/c21-10-13-5-7-14(8-6-13)12-27-20(26)23-18(19(24)25)9-15-11-22-17-4-2-1-3-16(15)17/h1-8,11,18,22H,9,12H2,(H,23,26)(H,24,25)/t18-/m0/s1