(2S)-2-azanyl-3-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyloxy]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyloxy]propanoic acid Openeye Name: (2S)-2-amino-3-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyloxy]propanoic acid CAS Name: (2S)-2-amino-3-[[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-oxomethoxy]propanoic acid IUPAC Name: (2S)-2-amino-3-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]carbamoyloxy]propanoic acid Traditional Name: (2S)-2-amino-3-[[(1R)-2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]carbamoyloxy]propionic acid Formula: C9H15N3O7S MolecularWeight: 309.2963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O7S/c10-4(8(16)17)2-19-9(18)12-5(3-20)7(15)11-1-6(13)14/h4-5,20H,1-3,10H2,(H,11,15)(H,12,18)(H,13,14)(H,16,17)/t4-,5-/m0/s1