Home Carbonyls N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-im-trityl-L-histidinyl-glycin

N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-im-trityl-L-histidinyl-glycin

CAS No.:
1428125-83-0
Catalog Number:
AG00VQNO
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00VQNO
Chemical Name:
N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-im-trityl-L-histidinyl-glycin
CAS Number:
1428125-83-0
MDL Number:
MFCD21363170
IUPAC Name:
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoyl]amino]acetic acid
InChI:
InChI=1S/C42H36N4O5/c47-39(48)25-43-40(49)38(45-41(50)51-27-37-35-22-12-10-20-33(35)34-21-11-13-23-36(34)37)24-32-26-46(28-44-32)42(29-14-4-1-5-15-29,30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-23,26,28,37-38H,24-25,27H2,(H,43,49)(H,45,50)(H,47,48)/t38-/m0/s1
InChI Key:
XIYBDFKFNGHUIZ-LHEWISCISA-N
SMILES:
OC(=O)CNC(=O)[C@H](Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2 C42H36N4O5
Properties
Complexity:
1100  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
676.269g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
676.773g/mol
Monoisotopic Mass:
676.269g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9  
Properties