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Home > Nitro Compounds > 83575-50-2
83575-50-2 | Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide
CAS No: 83575-50-2 Catalog No: AG00GCL3 MDL No:
Product Description
Catalog Number:
AG00GCL3
Chemical Name:
Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide
CAS Number:
83575-50-2
IUPAC Name:
benzyl N-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
InChI:
InChI=1S/C31H35N7O8/c32-30(42)33-17-7-12-25(35-23-13-15-24(16-14-23)38(44)45)28(40)37-29(41)26(18-21-8-3-1-4-9-21)36-27(39)19-34-31(43)46-20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-26,35H,7,12,17-20H2,(H,34,43)(H,36,39)(H3,32,33,42)(H,37,40,41)/t25-,26-/m0/s1
InChI Key:
DDXCWQDMYVFWAY-UIOOFZCWSA-N
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
633.255g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
633.662g/mol
Monoisotopic Mass:
633.255g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
227A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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