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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[(2E)-3-ethoxy-3-oxidanylidene-2-phenoxyimino-propyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid hydrochloride Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[(2E)-3-ethoxy-3-oxo-2-phenoxyimino-propyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid hydrochloride CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[[(2E)-3-ethoxy-3-oxo-2-phenoxyiminopropyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid hydrochloride IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(2E)-3-ethoxy-3-oxo-2-phenoxyiminopropyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid hydrochloride Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[[(2E)-3-ethoxy-3-keto-2-phenyloximino-propyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid hydrochloride Formula: C21H29ClN4O9S MolecularWeight: 548.99436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NOC1=CC=CC=C1)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.Cl

Isomeric SMILES

CCOC(=O)/C(=N\OC1=CC=CC=C1)/CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.Cl

InChI

InChI=1S/C21H28N4O9S.ClH/c1-2-33-21(32)16(25-34-13-6-4-3-5-7-13)12-35-11-15(19(29)23-10-18(27)28)24-17(26)9-8-14(22)20(30)31;/h3-7,14-15H,2,8-12,22H2,1H3,(H,23,29)(H,24,26)(H,27,28)(H,30,31);1H/b25-16-;