(1R)-1-{[(1-{N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutylboronic acid (CHEBI:45708)

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CHEBI:45708 - (1R)-1-{[(1-{N-[(S)-hydroxy(morpholin-4-yl)methyl]-β-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutylboronic acid

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ChEBI ID	CHEBI:45708
ChEBI Name	(1R)-1-{[(1-{N-[(S)-hydroxy(morpholin-4-yl)methyl]-β-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutylboronic acid
Stars
ASCII Name	(1R)-1-{[(1-{N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutylboronic acid
Last Modified	5 November 2007
Downloads	Molfile

Formula	C30H39BN4O7
Net Charge	0
Average Mass	578.475
Monoisotopic Mass	578.29118
SMILES	[H]OB(O[H])[C@@]([H])(N([H])C(=O)c1c([H])c([H])c([H])n1C(=O)[C@]([H])(N([H])[C@]([H])(O[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])(c1c([H])c([H])c([H])c([H])c1[H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H]
InChI	InChI=1S/C30H39BN4O7/c1-41-19-9-15-25(31(39)40)32-28(36)24-14-8-16-35(24)29(37)27(33-30(38)34-17-20-42-21-18-34)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-8,10-14,16,25-27,30,33,38-40H,9,15,17-21H2,1H3,(H,32,36)/t25-,27+,30-/m0/s1
InChIKey	DTJORIMAIDQZOF-NSROOHRNSA-N

ChEBI Ontology

Outgoing Relation(s)
	(1R)-1-{[(1-{N-[(S)-hydroxy(morpholin-4-yl)methyl]-β-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutylboronic acid (CHEBI:45708) is a boronic acids (CHEBI:38269)
	(1R)-1-{[(1-{N-[(S)-hydroxy(morpholin-4-yl)methyl]-β-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutylboronic acid (CHEBI:45708) is a morpholines (CHEBI:38785)
	(1R)-1-{[(1-{N-[(S)-hydroxy(morpholin-4-yl)methyl]-β-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutylboronic acid (CHEBI:45708) is a pyrroles (CHEBI:26455)

Synonyms	Source
[(1R)-1-{[(1-{N-[(S)-hydroxy(morpholin-4-yl)methyl]-beta-phenyl-D-phenylalanyl}-1H-pyrrol-2-yl)carbonyl]amino}-4-methoxybutyl]boronic acid	PDBeChem
MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID	PDBeChem

Manual Xrefs	Databases
T42	PDBeChem