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(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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Chemical Component Summary

Name(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
Identifiers(2S)-2-[3-(aminomethyl)phenyl]-3-[[(1R)-1-(2,1,3-benzothiadiazol-7-ylsulfonylamino)-2-methyl-propyl]-hydroxy-phosphoryl]propanoic acid
FormulaC20 H25 N4 O6 P S2
Molecular Weight512.539
TypeNON-POLYMER
Isomeric SMILESCC(C)[C@H](NS(=O)(=O)c1cccc2c1nsn2)[P@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O
InChIInChI=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
InChIKeyJQWWNMPDAALMKI-HNAYVOBHSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count3
Bond Count60
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 23653510