INA

1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE

Created:	1999-07-08
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	82
Chiral Atom Count	2
Bond Count	83
Aromatic Bond Count	12

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Chemical Component Summary
Name	1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE
Systematic Name (OpenEye OEToolkits)	phenylmethyl N-[(2S)-4-methyl-1-[2-[[[(2S)-4-methyl-2-phenylmethoxycarbonylamino-pentanoyl]amino]carbamoyl]hydrazinyl]-1-oxo-pentan-2-yl]carbamate
Formula	C₂₉ H₄₀ N₆ O₇
Molecular Weight	584.664
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCc1ccccc1)NC(C(=O)NNC(=O)NNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C
SMILES	CACTVS	3.341	CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[CH](CC(C)C)NC(=O)OCc2ccccc2
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CC(C(=O)NNC(=O)NNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2
Canonical SMILES	CACTVS	3.341	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2
InChI	InChI	1.03	InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1
InChIKey	InChI	1.03	HGDUWJVGIGLVOH-ZEQRLZLVSA-N

Drug Info: DrugBank

DrugBank ID	DB03891
Name	Dibenzyl (carbonylbis{2,1-hydrazinediyl[(2S)-4-methyl-1-oxo-1,2-pentanediyl]})biscarbamate
Groups	experimental
Synonyms	1,5-Bis(N-benzyloxycarbonyl-L-leucinyl)carbohydrazide Dibenzyl (carbonylbis{2,1-hydrazinediyl[(2S)-4-methyl-1-oxo-1,2-pentanediyl]})biscarbamate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cathepsin K	MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIW...	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