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2112738-13-1 | Mal-amido-PEG2-Val-Cit-PAB-PNP
CAS No: 2112738-13-1 Catalog No: AG019EEB MDL No:
Product Description
Catalog Number:
AG019EEB
Chemical Name:
Mal-amido-PEG2-Val-Cit-PAB-PNP
CAS Number:
2112738-13-1
IUPAC Name:
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C39H50N8O14/c1-25(2)35(45-32(49)16-20-58-22-23-59-21-18-41-31(48)15-19-46-33(50)13-14-34(46)51)37(53)44-30(4-3-17-42-38(40)54)36(52)43-27-7-5-26(6-8-27)24-60-39(55)61-29-11-9-28(10-12-29)47(56)57/h5-14,25,30,35H,3-4,15-24H2,1-2H3,(H,41,48)(H,43,52)(H,44,53)(H,45,49)(H3,40,42,54)/t30-,35-/m0/s1
InChI Key:
PAGAOQLHMRBQFV-QGRQJHSQSA-N
Properties
Complexity:
1520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
854.345g/mol
Formal Charge:
0
Heavy Atom Count:
61
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
854.871g/mol
Monoisotopic Mass:
854.345g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
309A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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