2-[[1-(carboxymethylamino)-3-nitrososulfanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]butanoic acid

Systemtic Name: 2-[[1-(carboxymethylamino)-3-nitrososulfanyl-1-oxidanylidene-propan-2-yl]carbamoylamino]butanoic acid Openeye Name: 2-[[2-(carboxymethylamino)-1-(nitrososulfanylmethyl)-2-oxo-ethyl]carbamoylamino]butanoic acid CAS Name: 2-[[[[1-(carboxymethylamino)-3-(nitrosothio)-1-oxopropan-2-yl]amino]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[1-(carboxymethylamino)-3-nitrososulfanyl-1-oxopropan-2-yl]carbamoylamino]butanoic acid Traditional Name: 2-[[2-(carboxymethylamino)-2-keto-1-[(nitrosothio)methyl]ethyl]carbamoylamino]butyric acid Formula: C10H16N4O7S MolecularWeight: 336.32164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)NC(CSN=O)C(=O)NCC(=O)O

Isomeric SMILES

CCC(C(=O)O)NC(=O)NC(CSN=O)C(=O)NCC(=O)O

InChI

InChI=1S/C10H16N4O7S/c1-2-5(9(18)19)12-10(20)13-6(4-22-14-21)8(17)11-3-7(15)16/h5-6H,2-4H2,1H3,(H,11,17)(H,15,16)(H,18,19)(H2,12,13,20)