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

Systemtic Name: 2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]-3-phenyl-propionic acid Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c24-17(11-15-12-25-18-9-5-4-8-16(15)18)21(28)27-20(13-32)22(29)26-19(23(30)31)10-14-6-2-1-3-7-14/h1-9,12,17,19-20,25,32H,10-11,13,24H2,(H,26,29)(H,27,28)(H,30,31)