methyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate Openeye Name: methyl (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C24H28N2O4/c1-24(2,3)30-23(28)26(16-17-10-6-5-7-11-17)21(22(27)29-4)14-18-15-25-20-13-9-8-12-19(18)20/h5-13,15,21,25H,14,16H2,1-4H3/t21-/m0/s1