2-azanyl-5-[[1-[carboxymethyl(hexyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-[carboxymethyl(hexyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-[carboxymethyl(hexyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-[carboxymethyl(hexyl)amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-[carboxymethyl(hexyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-[carboxymethyl(hexyl)amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C16H29N3O6S MolecularWeight: 391.48296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC(=O)O)C(=O)C(CS)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CCCCCCN(CC(=O)O)C(=O)C(CS)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-19(9-14(21)22)15(23)12(10-26)18-13(20)7-6-11(17)16(24)25/h11-12,26H,2-10,17H2,1H3,(H,18,20)(H,21,22)(H,24,25)