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201853-92-1

201853-92-1 | L-Lysinamide, N-(4-methoxy-1,4-dioxobutyl)-L-alanyl-L-phenylalanyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, mono(trifluoroacetate) (9CI)

CAS No: 201853-92-1 Catalog No: AG0027VH MDL No:

Product Description

Catalog Number:
AG0027VH
Chemical Name:
L-Lysinamide, N-(4-methoxy-1,4-dioxobutyl)-L-alanyl-L-phenylalanyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, mono(trifluoroacetate) (9CI)
CAS Number:
201853-92-1
IUPAC Name:
methyl 4-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C33H41N5O8.C2HF3O2/c1-20-17-30(41)46-27-19-23(12-13-24(20)27)36-32(43)25(11-7-8-16-34)37-33(44)26(18-22-9-5-4-6-10-22)38-31(42)21(2)35-28(39)14-15-29(40)45-3;3-2(4,5)1(6)7/h4-6,9-10,12-13,17,19,21,25-26H,7-8,11,14-16,18,34H2,1-3H3,(H,35,39)(H,36,43)(H,37,44)(H,38,42);(H,6,7)/t21-,25-,26-;/m0./s1
InChI Key:
GLPPXHKRTNSBBE-UBAACIDSSA-N

Properties

Complexity:
1200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
749.288g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
749.741g/mol
Monoisotopic Mass:
749.288g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
232A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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