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

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-(2-oxidanylidenepropylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-[[(1R)-1-(acetonylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2-oxopropylthio)propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(2-oxopropylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-[[(1R)-1-[(acetonylthio)methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid Formula: C13H21N3O7S MolecularWeight: 363.38674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O7S/c1-7(17)5-24-6-9(12(21)15-4-11(19)20)16-10(18)3-2-8(14)13(22)23/h8-9H,2-6,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t8-,9-/m0/s1