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

Systemtic Name: (2S)-2-azanyl-3-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoylamino]propanoic acid Openeye Name: (2S)-2-amino-3-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]carbamoylamino]propanoic acid CAS Name: (2S)-2-amino-3-[[[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-amino-3-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]carbamoylamino]propanoic acid Traditional Name: (2S)-2-amino-3-[[(1R)-2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]carbamoylamino]propionic acid Formula: C9H16N4O6S MolecularWeight: 308.31154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N4O6S/c10-4(8(17)18)1-12-9(19)13-5(3-20)7(16)11-2-6(14)15/h4-5,20H,1-3,10H2,(H,11,16)(H,14,15)(H,17,18)(H2,12,13,19)/t4-,5-/m0/s1