2-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-4-methylsulfanyl-butanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-4-(methylthio)butanoyl]amino]acetic acid Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)NC(CCSC)C(=O)NCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)N[C@@H](CCSC)C(=O)NCC(=O)O

InChI

InChI=1S/C17H20ClN3O4S/c1-21-13-4-3-11(18)7-10(13)8-14(21)17(25)20-12(5-6-26-2)16(24)19-9-15(22)23/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,19,24)(H,20,25)(H,22,23)/t12-/m0/s1