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

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-ethanoylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-[[(1R)-1-(acetylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid CAS Name: (2S)-5-[[(2R)-3-(acetylthio)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid IUPAC Name: (2S)-5-[[(2R)-3-acetylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid Traditional Name: (2S)-5-[[(1R)-1-[(acetylthio)methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid Formula: C12H19N3O7S MolecularWeight: 349.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

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

InChI

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