2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid CAS Name: 2-[[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methylsulfanylbutanoyl]amino]propanoic acid Traditional Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-(methylthio)butanoyl]amino]propionic acid Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CCSC)C(=O)NC(C)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CCSC)C(=O)NC(C)C(=O)O)C

InChI

InChI=1S/C19H25N3O4S/c1-11-5-6-15-13(9-11)10-16(22(15)3)18(24)21-14(7-8-27-4)17(23)20-12(2)19(25)26/h5-6,9-10,12,14H,7-8H2,1-4H3,(H,20,23)(H,21,24)(H,25,26)