ZED

L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S

Created:	2005-11-11
Last modified:	2020-06-05

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1 entries where ZED is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	3
Bond Count	41
Aromatic Bond Count	6

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Chemical Component Summary
Name	L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S
Synonyms	ZOFENOPRILAT
Systematic Name (OpenEye OEToolkits)	(2S,4S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid
Formula	C₁₅ H₁₉ N O₃ S₂
Molecular Weight	325.446
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N2C(C(=O)O)CC(Sc1ccccc1)C2)C(C)CS
SMILES	CACTVS	3.341	C[CH](CS)C(=O)N1C[CH](C[CH]1C(O)=O)Sc2ccccc2
SMILES	OpenEye OEToolkits	1.5.0	CC(CS)C(=O)N1CC(CC1C(=O)O)Sc2ccccc2
Canonical SMILES	CACTVS	3.341	C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2
InChI	InChI	1.03	InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1
InChIKey	InChI	1.03	UQWLOWFDKAFKAP-WXHSDQCUSA-N

Drug Info: DrugBank

DrugBank ID	DB08766
Name	Zofenoprilat
Groups	experimental
Synonyms	Zofenoprilat
Categories	Amino Acids Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Imino Acids
CAS number	75176-37-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cytosol aminopeptidase	MFLLPLPAAGRVVVRRLAVRRFGSRSLSTADMTKGLVLGIYSKEKEDDVP...	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