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

Systemtic Name: 2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-amino-4-(methylthio)butanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-23-7-6-12(17)15(20)19-14(16(21)22)8-10-9-18-13-5-3-2-4-11(10)13/h2-5,9,12,14,18H,6-8,17H2,1H3,(H,19,20)(H,21,22)