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

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-3-(carboxycarbonylsulfanyl)-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-(oxalosulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(oxalothio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-oxalosulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-keto-1-[(oxalothio)methyl]ethyl]amino]-5-keto-valeric acid Formula: C12H17N3O9S MolecularWeight: 379.34308

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC(CSC(=O)C(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O9S/c13-5(10(20)21)1-2-7(16)15-6(4-25-12(24)11(22)23)9(19)14-3-8(17)18/h5-6H,1-4,13H2,(H,14,19)(H,15,16)(H,17,18)(H,20,21)(H,22,23)/t5-,6-/m0/s1