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

Systemtic Name: 2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]propionic acid Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S/c1-9(17(24)25)20-16(23)14(8-26)21-15(22)12(18)6-10-7-19-13-5-3-2-4-11(10)13/h2-5,7,9,12,14,19,26H,6,8,18H2,1H3,(H,20,23)(H,21,22)(H,24,25)