5-[[1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-(hexylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-(hexylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-4-(hexylamino)-5-oxo-pentanoic acid CAS Name: 5-[[1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-4-(hexylamino)-5-oxopentanoic acid IUPAC Name: 5-[[1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-(hexylamino)-5-oxopentanoic acid Traditional Name: 5-[[2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-4-(hexylamino)-5-keto-valeric acid Formula: C16H29N3O6S MolecularWeight: 391.48296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CCC(=O)O)C(=O)NC(CS)C(=O)NCC(=O)O

Isomeric SMILES

CCCCCCNC(CCC(=O)O)C(=O)NC(CS)C(=O)NCC(=O)O

InChI

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