(2S)-2-azaniumyl-6-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoate

Systemtic Name: (2S)-2-azaniumyl-6-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoate Openeye Name: (2S)-2-azaniumyl-6-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoate CAS Name: (2S)-2-ammonio-6-[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-6-oxohexanoate IUPAC Name: (2S)-2-azaniumyl-6-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoate Traditional Name: (2S)-2-ammonio-6-[[(1R)-2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoate Formula: C11H19N3O6S MolecularWeight: 323.336124

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)[O-])[NH3+])CC(=O)NC(CS)C(=O)NCC(=O)O

Isomeric SMILES

C(C[C@@H](C(=O)[O-])[NH3+])CC(=O)N[C@@H]([13CH2]S)C(=O)[15NH]CC(=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/i5+1,13+1