M1N

(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID

Created:	2006-01-10
Last modified:	2024-09-27

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1 entries where M1N is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	64
Chiral Atom Count	2
Bond Count	66
Aromatic Bond Count	11

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Chemical Component Summary
Name	(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID
Synonyms	N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID
Systematic Name (OpenEye OEToolkits)	[(1R)-3-methyl-1-[[(2R)-2-(morpholin-4-ylcarbonylamino)-3-naphthalen-1-yl-propanoyl]amino]butyl]boronic acid
Formula	C₂₃ H₃₂ B N₃ O₅
Molecular Weight	441.328
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc2c1ccccc1ccc2)N3CCOCC3
SMILES	CACTVS	3.341	CC(C)C[CH](NC(=O)[CH](Cc1cccc2ccccc12)NC(=O)N3CCOCC3)B(O)O
SMILES	OpenEye OEToolkits	1.5.0	B(C(CC(C)C)NC(=O)C(Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O
Canonical SMILES	CACTVS	3.341	CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)N3CCOCC3)B(O)O
Canonical SMILES	OpenEye OEToolkits	1.5.0	B([C@H](CC(C)C)NC(=O)[C@@H](Cc1cccc2c1cccc2)NC(=O)N3CCOCC3)(O)O
InChI	InChI	1.03	InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1
InChIKey	InChI	1.03	MQMHIOPMTAJOHV-RTWAWAEBSA-N

Drug Info: DrugBank

DrugBank ID	DB04732
Name	N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID
Groups	experimental
Synonyms	N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Proteasome subunit beta	MTWPLPDRLSINSLSGTPAVDLSSFTDFLRRQAPELLPASISGGAPLAGG...	unknown
Proteasome subunit alpha	MSFPYFISPEQAMRERSELARKGIARAKSVVALAYAGGVLFVAENPSRSL...	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