3-(1H-indol-3-yl)-2-[[4-methyl-2-(2-sulfanylethanoylamino)pentanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(2-sulfanylethanoylamino)pentanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-[(2-mercapto-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-[(2-mercaptoacetyl)amino]-4-methyl-pentanoyl]amino]propionic acid Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-11(2)7-15(21-17(23)10-27)18(24)22-16(19(25)26)8-12-9-20-14-6-4-3-5-13(12)14/h3-6,9,11,15-16,20,27H,7-8,10H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)