2-azanyl-6-[[1-(carboxymethylamino)-1-oxidanylidene-3-(5-oxidanylidenehexan-3-ylsulfanyl)propan-2-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-6-[[1-(carboxymethylamino)-1-oxidanylidene-3-(5-oxidanylidenehexan-3-ylsulfanyl)propan-2-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 2-amino-6-[[2-(carboxymethylamino)-1-[(1-ethyl-3-oxo-butyl)sulfanylmethyl]-2-oxo-ethyl]amino]-6-oxo-hexanoic acid CAS Name: 2-amino-6-[[1-(carboxymethylamino)-1-oxo-3-(5-oxohexan-3-ylthio)propan-2-yl]amino]-6-oxohexanoic acid IUPAC Name: 2-amino-6-[[1-(carboxymethylamino)-1-oxo-3-(5-oxohexan-3-ylsulfanyl)propan-2-yl]amino]-6-oxohexanoic acid Traditional Name: 2-amino-6-[[2-(carboxymethylamino)-1-[[(1-ethyl-3-keto-butyl)thio]methyl]-2-keto-ethyl]amino]-6-keto-hexanoic acid Formula: C17H29N3O7S MolecularWeight: 419.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C)SCC(C(=O)NCC(=O)O)NC(=O)CCCC(C(=O)O)N

Isomeric SMILES

CCC(CC(=O)C)SCC(C(=O)NCC(=O)O)NC(=O)CCCC(C(=O)O)N

InChI

InChI=1S/C17H29N3O7S/c1-3-11(7-10(2)21)28-9-13(16(25)19-8-15(23)24)20-14(22)6-4-5-12(18)17(26)27/h11-13H,3-9,18H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27)