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Home > Nitro Compounds > 72957-43-8
72957-43-8 | (ortho-nitrophenyl)sulfenyl pentagastrin
CAS No: 72957-43-8 Catalog No: AG00FVVB MDL No:
Product Description
Catalog Number:
AG00FVVB
Chemical Name:
(ortho-nitrophenyl)sulfenyl pentagastrin
CAS Number:
72957-43-8
IUPAC Name:
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C43H52N8O11S2/c1-43(2,3)62-42(59)45-20-18-36(52)49-41(58)31(22-26-12-6-5-7-13-26)47-40(57)32(24-37(53)54)48-39(56)30(19-21-63-4)46-38(55)29(44)23-27-25-50(33-15-9-8-14-28(27)33)64-35-17-11-10-16-34(35)51(60)61/h5-17,25,29-32H,18-24,44H2,1-4H3,(H,45,59)(H,46,55)(H,47,57)(H,48,56)(H,53,54)(H,49,52,58)/t29-,30-,31-,32-/m0/s1
InChI Key:
WAQHPVZIMKXYPO-YDPTYEFTSA-N
Properties
Complexity:
1620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
920.32g/mol
Formal Charge:
0
Heavy Atom Count:
64
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
921.054g/mol
Monoisotopic Mass:
920.32g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
337A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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