1-[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]proline Formula: C19H24N4O4S MolecularWeight: 404.48326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CS)NC(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CS)NC(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)O

InChI

InChI=1S/C19H24N4O4S/c20-13(8-11-9-21-14-5-2-1-4-12(11)14)17(24)22-15(10-28)18(25)23-7-3-6-16(23)19(26)27/h1-2,4-5,9,13,15-16,21,28H,3,6-8,10,20H2,(H,22,24)(H,26,27)