2-azanyl-6-[[1-(carboxymethylamino)-1-oxidanylidene-3-(2-oxidanylideneheptan-4-ylsulfanyl)propan-2-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-6-[[1-(carboxymethylamino)-1-oxidanylidene-3-(2-oxidanylideneheptan-4-ylsulfanyl)propan-2-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 2-amino-6-[[2-(carboxymethylamino)-2-oxo-1-[(3-oxo-1-propyl-butyl)sulfanylmethyl]ethyl]amino]-6-oxo-hexanoic acid CAS Name: 2-amino-6-[[1-(carboxymethylamino)-1-oxo-3-(2-oxoheptan-4-ylthio)propan-2-yl]amino]-6-oxohexanoic acid IUPAC Name: 2-amino-6-[[1-(carboxymethylamino)-1-oxo-3-(2-oxoheptan-4-ylsulfanyl)propan-2-yl]amino]-6-oxohexanoic acid Traditional Name: 2-amino-6-[[2-(carboxymethylamino)-2-keto-1-[[(3-keto-1-propyl-butyl)thio]methyl]ethyl]amino]-6-keto-hexanoic acid Formula: C18H31N3O7S MolecularWeight: 433.51964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O7S/c1-3-5-12(8-11(2)22)29-10-14(17(26)20-9-16(24)25)21-15(23)7-4-6-13(19)18(27)28/h12-14H,3-10,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H,27,28)