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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[(2E)-3-ethoxy-3-oxidanylidene-2-prop-2-enoxyimino-propyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid dihydrochloride Openeye Name: 5-[[1-[[(2E)-2-allyloxyimino-3-ethoxy-3-oxo-propyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid dihydrochloride CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[[(2E)-3-ethoxy-3-oxo-2-prop-2-enoxyiminopropyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid dihydrochloride IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(2E)-3-ethoxy-3-oxo-2-prop-2-enoxyiminopropyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid dihydrochloride Traditional Name: 5-[[1-[[[(2E)-2-allyloximino-3-ethoxy-3-keto-propyl]thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid dihydrochloride Formula: C18H30Cl2N4O9S MolecularWeight: 549.4232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O9S.2ClH/c1-3-7-31-22-13(18(29)30-4-2)10-32-9-12(16(26)20-8-15(24)25)21-14(23)6-5-11(19)17(27)28;;/h3,11-12H,1,4-10,19H2,2H3,(H,20,26)(H,21,23)(H,24,25)(H,27,28);2*1H/b22-13-;;