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1291831-57-6 | N-{[2-(1H-Pyrrol-1-yl)-1,3-benzothiazol-6-yl]-carbonyl}-L-alanine
CAS No: 1291831-57-6 Catalog No: AG00HRXB MDL No:MFCD15730893
Product Description
Catalog Number:
AG00HRXB
Chemical Name:
N-{[2-(1H-Pyrrol-1-yl)-1,3-benzothiazol-6-yl]-carbonyl}-L-alanine
CAS Number:
1291831-57-6
MDL Number:
MFCD15730893
IUPAC Name:
(2S)-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propanoic acid
InChI:
InChI=1S/C15H13N3O3S/c1-9(14(20)21)16-13(19)10-4-5-11-12(8-10)22-15(17-11)18-6-2-3-7-18/h2-9H,1H3,(H,16,19)(H,20,21)/t9-/m0/s1
InChI Key:
NFGKCJLLNFNGHY-VIFPVBQESA-N
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
315.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.347g/mol
Monoisotopic Mass:
315.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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