2-azanyl-5-[[3-[(2E)-3-butoxy-2-methoxyimino-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-methoxyimino-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-methoxyimino-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-methoxyimino-3-oxopropyl]thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid hydrochloride IUPAC Name: 2-amino-5-[[3-[(2E)-3-butoxy-2-methoxyimino-3-oxopropyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid hydrochloride Traditional Name: 2-amino-5-[[1-[[[(2E)-3-butoxy-3-keto-2-methyloximino-propyl]thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid hydrochloride Formula: C18H31ClN4O9S MolecularWeight: 514.97814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O9S.ClH/c1-3-4-7-31-18(29)13(22-30-2)10-32-9-12(16(26)20-8-15(24)25)21-14(23)6-5-11(19)17(27)28;/h11-12H,3-10,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H,27,28);1H/b22-13-;