T10

[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER

Created:	2002-08-14
Last modified:	2011-06-04

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1 entries where T10 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	2
Bond Count	64
Aromatic Bond Count	18

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Chemical Component Summary
Name	[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
Systematic Name (OpenEye OEToolkits)	phenylmethyl N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-phenyl-butan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]carbamate
Formula	C₂₇ H₂₈ N₂ O₅
Molecular Weight	460.522
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(CO)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)Cc3ccccc3
SMILES	CACTVS	3.341	OCC(=O)[CH](Cc1ccccc1)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC(C(=O)CO)NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3
Canonical SMILES	CACTVS	3.341	OCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C[C@@H](C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3
InChI	InChI	1.03	InChI=1S/C27H28N2O5/c30-18-25(31)23(16-20-10-4-1-5-11-20)28-26(32)24(17-21-12-6-2-7-13-21)29-27(33)34-19-22-14-8-3-9-15-22/h1-15,23-24,30H,16-19H2,(H,28,32)(H,29,33)/t23-,24-/m0/s1
InChIKey	InChI	1.03	OACUXIVGLLCILS-ZEQRLZLVSA-N

Drug Info: DrugBank

DrugBank ID	DB01871
Name	[1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester
Groups	experimental
Synonyms	[1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cathepsin F	MAPWLQLLSLLGLLPGAVAAPAQPRAASFQAWGPPSPELLAPTRFALEMF...	unknown
Cruzipain	MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYE...	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