2-azanyl-5-[[3-[(2E)-3-butoxy-2-hydroxyimino-3-oxidanylidene-propyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid hydrochloride

Systemtic Name: 2-azanyl-5-[[3-[(2E)-3-butoxy-2-hydroxyimino-3-oxidanylidene-propyl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid hydrochloride Openeye Name: 2-amino-5-[[1-[[(2E)-3-butoxy-2-hydroxyimino-3-oxo-propyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid hydrochloride CAS Name: 2-amino-5-[[3-[[(2E)-3-butoxy-2-hydroxyimino-3-oxopropyl]thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid hydrochloride IUPAC Name: 2-amino-5-[[3-[(2E)-3-butoxy-2-hydroxyimino-3-oxopropyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid hydrochloride Traditional Name: 2-amino-5-[[1-[[[(2E)-3-butoxy-2-hydroximino-3-keto-propyl]thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid hydrochloride Formula: C17H29ClN4O9S MolecularWeight: 500.95156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=NO)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.Cl

Isomeric SMILES

CCCCOC(=O)/C(=N\O)/CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.Cl

InChI

InChI=1S/C17H28N4O9S.ClH/c1-2-3-6-30-17(28)12(21-29)9-31-8-11(15(25)19-7-14(23)24)20-13(22)5-4-10(18)16(26)27;/h10-11,29H,2-9,18H2,1H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27);1H/b21-12-;