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

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CS)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CS)N

InChI

InChI=1S/C14H17N3O3S/c15-10(7-21)13(18)17-12(14(19)20)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,21H,5,7,15H2,(H,17,18)(H,19,20)