(2S)-1-[[3-benzamido-4-(1H-indol-3-yl)-2-oxidanylidene-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[[3-benzamido-4-(1H-indol-3-yl)-2-oxidanylidene-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[[3-benzamido-4-(1H-indol-3-yl)-2-oxo-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[[3-benzamido-4-(1H-indol-3-yl)-2-oxobutyl]-methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[[3-benzamido-4-(1H-indol-3-yl)-2-oxobutyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[[3-benzamido-4-(1H-indol-3-yl)-2-keto-butyl]-methyl-carbamoyl]proline Formula: C26H28N4O5 MolecularWeight: 476.52432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3)C(=O)N4CCCC4C(=O)O

Isomeric SMILES

CN(CC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)O

InChI

InChI=1S/C26H28N4O5/c1-29(26(35)30-13-7-12-22(30)25(33)34)16-23(31)21(28-24(32)17-8-3-2-4-9-17)14-18-15-27-20-11-6-5-10-19(18)20/h2-6,8-11,15,21-22,27H,7,12-14,16H2,1H3,(H,28,32)(H,33,34)/t21?,22-/m0/s1