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

Systemtic Name: (2S)-2-azaniumyl-5-[[(2R)-1-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-2-azaniumyl-5-[[(1R)-2-[(2-ethoxy-2-oxo-ethyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoate CAS Name: (2S)-2-ammonio-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: (2S)-2-azaniumyl-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate Traditional Name: (2S)-2-ammonio-5-[[(1R)-2-[(2-ethoxy-2-keto-ethyl)amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valerate Formula: C12H21N3O6S MolecularWeight: 335.37664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)[O-])[NH3+]

InChI

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