(2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid (CHEBI:39758)

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CHEBI:39758 - (2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid

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ChEBI ID	CHEBI:39758
ChEBI Name	(2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid
Stars
ASCII Name	(2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid
Last Modified	16 May 2008
Downloads	Molfile

Formula	C20H25N4O6PS2
Net Charge	0
Average Mass	512.550
Monoisotopic Mass	512.09531
SMILES	[H]OC(=O)[C@]([H])(c1c([H])c([H])c([H])c(C([H])([H])N([H])[H])c1[H])C([H])([H])[P@](=O)(O[H])[C@@]([H])(N([H])S(=O)(=O)c1c([H])c([H])c([H])c2nsnc12)C([H])(C([H])([H])[H])C([H])([H])[H]
InChI	InChI=1S/C20H25N4O6PS2/c1-12(2)19(24-33(29,30)17-8-4-7-16-18(17)23-32-22-16)31(27,28)11-15(20(25)26)14-6-3-5-13(9-14)10-21/h3-9,12,15,19,24H,10-11,21H2,1-2H3,(H,25,26)(H,27,28)/t15-,19+/m0/s1
InChIKey	JQWWNMPDAALMKI-HNAYVOBHSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid (CHEBI:39758) has functional parent phosphinic acid (CHEBI:29031)
	(2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid (CHEBI:39758) has functional parent propionic acid (CHEBI:30768)
	(2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid (CHEBI:39758) is a benzothiadiazole (CHEBI:48864)
	(2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid (CHEBI:39758) is a sulfonamide (CHEBI:35358)

Synonyms	Source
(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID	PDBeChem
(2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid	PDBeChem

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