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86063-97-0 | BOC-PHE-ALA-ALA-4-NITRO-PHE-PHE-VAL-LEU-PYRIDIN-4-YLMETHYL ESTER
CAS No: 86063-97-0 Catalog No: AG00GV3V MDL No:
Product Description
Catalog Number:
AG00GV3V
Chemical Name:
BOC-PHE-ALA-ALA-4-NITRO-PHE-PHE-VAL-LEU-PYRIDIN-4-YLMETHYL ESTER
CAS Number:
86063-97-0
IUPAC Name:
pyridin-4-ylmethyl 4-methyl-2-[[3-methyl-2-[[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]pentanoate
InChI:
InChI=1S/C55H71N9O12/c1-33(2)28-45(53(71)75-32-40-24-26-56-27-25-40)61-52(70)46(34(3)4)63-51(69)43(29-37-16-12-10-13-17-37)60-50(68)42(31-39-20-22-41(23-21-39)64(73)74)59-48(66)36(6)57-47(65)35(5)58-49(67)44(30-38-18-14-11-15-19-38)62-54(72)76-55(7,8)9/h10-27,33-36,42-46H,28-32H2,1-9H3,(H,57,65)(H,58,67)(H,59,66)(H,60,68)(H,61,70)(H,62,72)(H,63,69)
InChI Key:
DDDZLWFGNQMCLJ-UHFFFAOYSA-N
Properties
Complexity:
1920
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1049.522g/mol
Formal Charge:
0
Heavy Atom Count:
76
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
1050.224g/mol
Monoisotopic Mass:
1049.522g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
298A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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