(2R)-2-[2-azaniumylethanoyl(phenylmethoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2R)-2-[2-azaniumylethanoyl(phenylmethoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2R)-2-[(2-azaniumylacetyl)-benzyloxycarbonyl-amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[(2-ammonio-1-oxoethyl)-phenylmethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2R)-2-[(2-azaniumylacetyl)-phenylmethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[(2-ammonioacetyl)-carbobenzoxy-amino]-3-(1H-indol-3-yl)propionate Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

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)C[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N([C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])C(=O)C[NH3+]

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)/t18-/m1/s1