(2S)-2-acetamido-5-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-acetamido-5-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-acetamido-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-acetamido-5-[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-acetamido-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-acetamido-5-[[(1R)-2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C12H19N3O7S MolecularWeight: 349.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O

InChI

InChI=1S/C12H19N3O7S/c1-6(16)14-7(12(21)22)2-3-9(17)15-8(5-23)11(20)13-4-10(18)19/h7-8,23H,2-5H2,1H3,(H,13,20)(H,14,16)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1