NMP

2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE

Created:	2002-07-09
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	2
Bond Count	59
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE
Systematic Name (OpenEye OEToolkits)	(2S)-2-[2-[[(2R)-2-carbamimidamido-2-cyclohexyl-ethanoyl]amino]ethanoylamino]-N-(3-sulfanylpropyl)propanamide
Formula	C₁₇ H₃₂ N₆ O₃ S
Molecular Weight	400.539
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NCCCS)C(NC(=O)CNC(=O)C(NC(=[N@H])N)C1CCCCC1)C
SMILES	CACTVS	3.341	C[CH](NC(=O)CNC(=O)[CH](NC(N)=N)C1CCCCC1)C(=O)NCCCS
SMILES	OpenEye OEToolkits	1.5.0	CC(C(=O)NCCCS)NC(=O)CNC(=O)C(C1CCCCC1)NC(=N)N
Canonical SMILES	CACTVS	3.341	C[C@H](NC(=O)CNC(=O)[C@H](NC(N)=N)C1CCCCC1)C(=O)NCCCS
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H](C(=O)NCCCS)NC(=O)CNC(=O)[C@@H](C1CCCCC1)NC(=N)N
InChI	InChI	1.03	InChI=1S/C17H32N6O3S/c1-11(15(25)20-8-5-9-27)22-13(24)10-21-16(26)14(23-17(18)19)12-6-3-2-4-7-12/h11-12,14,27H,2-10H2,1H3,(H,20,25)(H,21,26)(H,22,24)(H4,18,19,23)/t11-,14+/m0/s1
InChIKey	InChI	1.03	YLLNYDDZOMCFDE-SMDDNHRTSA-N

Drug Info: DrugBank

DrugBank ID	DB04278
Name	2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide
Groups	experimental
Synonyms	2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide N-{(2R)-2-Cyclohexyl-2-[(diaminomethylene)amino]acetyl}glycyl-N-(3-sulfanylpropyl)-L-alaninamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Interleukin-2	MYRMQLLSCIALSLALVTNSAPTSSSTKKTQLQLEHLLLDLQMILNGINN...	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