Home Carbonyls benzyl ((S)-2-((tert-butoxycarbonyl)aMino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate

benzyl ((S)-2-((tert-butoxycarbonyl)aMino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate

CAS No.:
868540-15-2
Catalog Number:
AG00GU8X
Molecular Formula:
C37H47N3O6
Molecular Weight:
629.7856
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Product Description
Catalog Number:
AG00GU8X
Chemical Name:
benzyl ((S)-2-((tert-butoxycarbonyl)aMino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate
CAS Number:
868540-15-2
Molecular Formula:
C37H47N3O6
Molecular Weight:
629.7856
MDL Number:
MFCD29044885
IUPAC Name:
benzyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate
InChI:
InChI=1S/C37H47N3O6/c1-26(2)23-31(38-33(41)30(40-36(44)46-37(3,4)5)22-21-27-15-9-6-10-16-27)34(42)39-32(24-28-17-11-7-12-18-28)35(43)45-25-29-19-13-8-14-20-29/h6-20,26,30-32H,21-25H2,1-5H3,(H,38,41)(H,39,42)(H,40,44)/t30-,31-,32-/m0/s1
InChI Key:
AKIABKDAWVWIHO-CPCREDONSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)OCc1ccccc1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)CCc1ccccc1)C
Properties
Complexity:
945  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
629.346g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
629.798g/mol
Monoisotopic Mass:
629.346g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1  
Properties