2-azanyl-5-[[1-(carboxymethylamino)-3-[(2E)-3-ethoxy-2-ethoxyimino-3-oxidanylidene-propyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid dihydrochloride

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[(2E)-3-ethoxy-2-ethoxyimino-3-oxidanylidene-propyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid dihydrochloride Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[(2E)-3-ethoxy-2-ethoxyimino-3-oxo-propyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid dihydrochloride CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[[(2E)-3-ethoxy-2-ethoxyimino-3-oxopropyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid dihydrochloride IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(2E)-3-ethoxy-2-ethoxyimino-3-oxopropyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid dihydrochloride Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[[(2E)-3-ethoxy-2-ethyloximino-3-keto-propyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid dihydrochloride Formula: C17H30Cl2N4O9S MolecularWeight: 537.4125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NOCC)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.Cl.Cl

Isomeric SMILES

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

InChI

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