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

Systemtic Name: (2S)-2-azaniumyl-5-[[(2R)-1-[(3-oxidanidyl-3-oxidanylidene-propyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-2-azaniumyl-5-[[(1R)-2-[(3-oxido-3-oxo-propyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoate CAS Name: (2S)-2-ammonio-5-[[(2R)-3-mercapto-1-[(3-oxido-3-oxopropyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: (2S)-2-azaniumyl-5-[[(2R)-1-[(3-oxido-3-oxopropyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate Traditional Name: (2S)-2-ammonio-5-keto-5-[[(1R)-2-keto-2-[(3-keto-3-oxido-propyl)amino]-1-(mercaptomethyl)ethyl]amino]valerate Formula: C11H18N3O6S- MolecularWeight: 320.34212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)[O-])[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/p-1/t6-,7-/m0/s1