(2S)-2-[[3-[[(2R)-2-azaniumyl-3-sulfanyl-propanoyl]amino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[3-[[(2R)-2-azaniumyl-3-sulfanyl-propanoyl]amino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[3-[[(2R)-2-azaniumyl-3-sulfanyl-propanoyl]amino]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-[[(2R)-2-ammonio-3-mercapto-1-oxopropyl]amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[3-[[(2R)-2-azaniumyl-3-sulfanylpropanoyl]amino]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-[[(2R)-2-ammonio-3-mercapto-propanoyl]amino]benzoyl]amino]-4-(methylthio)butyrate Formula: C15H21N3O4S2 MolecularWeight: 371.47494

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC(=CC=C1)NC(=O)C(CS)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CC(=CC=C1)NC(=O)[C@H](CS)[NH3+]

InChI

InChI=1S/C15H21N3O4S2/c1-24-6-5-12(15(21)22)18-13(19)9-3-2-4-10(7-9)17-14(20)11(16)8-23/h2-4,7,11-12,23H,5-6,8,16H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t11-,12-/m0/s1