3-(1H-indol-3-yl)-2-[[3-methyl-2-(2-sulfanylethanoylamino)butanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-(2-sulfanylethanoylamino)butanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-sulfanylacetyl)amino]butanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-[(2-mercapto-1-oxoethyl)amino]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-sulfanylacetyl)amino]butanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-[(2-mercaptoacetyl)amino]-3-methyl-butanoyl]amino]propionic acid Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-10(2)16(21-15(22)9-26)17(23)20-14(18(24)25)7-11-8-19-13-6-4-3-5-12(11)13/h3-6,8,10,14,16,19,26H,7,9H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)