2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-formamido-4-(methylthio)butanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC=O

Isomeric SMILES

CSCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC=O

InChI

InChI=1S/C17H21N3O4S/c1-25-7-6-14(19-10-21)16(22)20-15(17(23)24)8-11-9-18-13-5-3-2-4-12(11)13/h2-5,9-10,14-15,18H,6-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)