1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-2,3-dihydroindole-4-carboxylic acid

Systemtic Name: 1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-2,3-dihydroindole-4-carboxylic acid Openeye Name: 1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]indoline-4-carboxylic acid CAS Name: 1-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-2,3-dihydroindole-4-carboxylic acid IUPAC Name: 1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-2,3-dihydroindole-4-carboxylic acid Traditional Name: 1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]indoline-4-carboxylic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC2=C(C=CC=C21)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC2=C(C=CC=C21)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5/c1-14(2)19(23-22(28)29-13-15-7-4-3-5-8-15)20(25)24-12-11-16-17(21(26)27)9-6-10-18(16)24/h3-10,14,19H,11-13H2,1-2H3,(H,23,28)(H,26,27)/t19-/m0/s1