(2S)-2-azaniumyl-5-[[(2R)-3-methylsulfanyl-1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-2-azaniumyl-5-[[(2R)-3-methylsulfanyl-1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-2-azaniumyl-5-[[(1R)-1-(methylsulfanylmethyl)-2-[(2-oxido-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: (2S)-2-ammonio-5-[[(2R)-3-(methylthio)-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: (2S)-2-azaniumyl-5-[[(2R)-3-methylsulfanyl-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: (2S)-2-ammonio-5-keto-5-[[(1R)-2-keto-2-[(2-keto-2-oxido-ethyl)amino]-1-[(methylthio)methyl]ethyl]amino]valerate Formula: C11H18N3O6S- MolecularWeight: 320.34212

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CSC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/p-1/t6-,7-/m0/s1