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

Systemtic Name: (2S)-2-azaniumyl-5-[[(2R)-3-ethylsulfanyl-1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-2-azaniumyl-5-[[(1R)-1-(ethylsulfanylmethyl)-2-[(2-oxido-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: (2S)-2-ammonio-5-[[(2R)-3-(ethylthio)-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: (2S)-2-azaniumyl-5-[[(2R)-3-ethylsulfanyl-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: (2S)-2-ammonio-5-[[(1R)-1-[(ethylthio)methyl]-2-keto-2-[(2-keto-2-oxido-ethyl)amino]ethyl]amino]-5-keto-valerate Formula: C12H20N3O6S- MolecularWeight: 334.3687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O6S/c1-2-22-6-8(11(19)14-5-10(17)18)15-9(16)4-3-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/p-1/t7-,8-/m0/s1