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

Systemtic Name: 2-azanyl-5-[[1-[carboxymethyl(propyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-[carboxymethyl(propyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-[carboxymethyl(propyl)amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-[carboxymethyl(propyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-[carboxymethyl(propyl)amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C13H23N3O6S MolecularWeight: 349.40322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O6S/c1-2-5-16(6-11(18)19)12(20)9(7-23)15-10(17)4-3-8(14)13(21)22/h8-9,23H,2-7,14H2,1H3,(H,15,17)(H,18,19)(H,21,22)