(2S)-2-azanyl-6-[[1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[[1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: (2S)-2-amino-6-[[2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid CAS Name: (2S)-2-amino-6-[[1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-6-oxohexanoic acid IUPAC Name: (2S)-2-amino-6-[[1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid Traditional Name: (2S)-2-amino-6-[[2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoic acid Formula: C11H19N3O6S MolecularWeight: 321.35006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O6S/c12-6(11(19)20)2-1-3-8(15)14-7(5-21)10(18)13-4-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7?/m0/s1