PL7

(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID

Created:	2006-12-23
Last modified:	2024-09-27

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1 entries where PL7 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	6

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Chemical Component Summary
Name	(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID
Synonyms	PHENYLACETYL LACTIVICIN
Systematic Name (OpenEye OEToolkits)	(2E)-2-[(2S)-3-hydroxy-3-oxo-2-(2-phenoxyethanoylamino)propoxy]iminopentanedioic acid
Formula	C₁₆ H₁₈ N₂ O₉
Molecular Weight	382.322
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCC(=N\OCC(C(=O)O)NC(=O)COc1ccccc1)/C(=O)O
SMILES	CACTVS	3.341	OC(=O)CCC(=NOC[CH](NC(=O)COc1ccccc1)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)OCC(=O)NC(CON=C(CCC(=O)O)C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CC\C(=N/OC[C@H](NC(=O)COc1ccccc1)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)OCC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C16H18N2O9/c19-13(9-26-10-4-2-1-3-5-10)17-12(16(24)25)8-27-18-11(15(22)23)6-7-14(20)21/h1-5,12H,6-9H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b18-11+/t12-/m0/s1
InChIKey	InChI	1.03	LDNKNKRRFZRLIG-HWQJWEFDSA-N

Drug Info: DrugBank

DrugBank ID	DB08401
Name	(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID
Groups	experimental
Synonyms	(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Penicillin-binding protein 1B	MQNQLNELKRKMLEFFQQKQKNKKSARPGKKGSSTKKSKTLDKSAIFPAI...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682