2-[2-azanylethanoyl(phenylmethoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-azanylethanoyl(phenylmethoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(2-aminoacetyl)-benzyloxycarbonyl-amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(2-amino-1-oxoethyl)-phenylmethoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2-aminoacetyl)-phenylmethoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[carbobenzoxy(glycyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)CN

InChI

InChI=1S/C21H21N3O5/c22-11-19(25)24(21(28)29-13-14-6-2-1-3-7-14)18(20(26)27)10-15-12-23-17-9-5-4-8-16(15)17/h1-9,12,18,23H,10-11,13,22H2,(H,26,27)