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

Systemtic Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-methyl-3-sulfanyl-propanoyl)amino]butanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-methyl-3-sulfanyl-propanoyl)amino]butanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-[(3-mercapto-2-methyl-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[3-methyl-2-[(2-methyl-3-sulfanylpropanoyl)amino]butanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-[(3-mercapto-2-methyl-propanoyl)amino]-3-methyl-butanoyl]amino]propionic acid Formula: C20H27N3O4S MolecularWeight: 405.51108

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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)C(C)CS

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-11(2)17(23-18(24)12(3)10-28)19(25)22-16(20(26)27)8-13-9-21-15-7-5-4-6-14(13)15/h4-7,9,11-12,16-17,21,28H,8,10H2,1-3H3,(H,22,25)(H,23,24)(H,26,27)