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

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-[(2-methyl-3-sulfanyl-propanoyl)amino]ethanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-[(2-methyl-3-sulfanyl-propanoyl)amino]acetyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-[(3-mercapto-2-methyl-1-oxopropyl)amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-[(2-methyl-3-sulfanylpropanoyl)amino]acetyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-[(3-mercapto-2-methyl-propanoyl)amino]acetyl]amino]propionic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(CS)C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

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