(2R)-1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]-5-chloranyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: (2R)-1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]-5-chloranyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2R)-1-[(2S)-2-amino-4-methylsulfanyl-butanoyl]-5-chloro-indoline-2-carboxylic acid CAS Name: (2R)-1-[(2S)-2-amino-4-(methylthio)-1-oxobutyl]-5-chloro-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2R)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]-5-chloro-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2R)-1-[(2S)-2-amino-4-(methylthio)butanoyl]-5-chloro-indoline-2-carboxylic acid Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1C(CC2=C1C=CC(=C2)Cl)C(=O)O)N

Isomeric SMILES

CSCC[C@@H](C(=O)N1[C@H](CC2=C1C=CC(=C2)Cl)C(=O)O)N

InChI

InChI=1S/C14H17ClN2O3S/c1-21-5-4-10(16)13(18)17-11-3-2-9(15)6-8(11)7-12(17)14(19)20/h2-3,6,10,12H,4-5,7,16H2,1H3,(H,19,20)/t10-,12+/m0/s1