Home Carbonyls L-Valinamide,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-(1,1-dimethylethoxy)-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-

L-Valinamide,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-(1,1-dimethylethoxy)-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-

CAS No.:
474645-25-5
Catalog Number:
AG00ILZT
Molecular Formula:
C40H59N3O7
Molecular Weight:
693.9124
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Product Description
Catalog Number:
AG00ILZT
Chemical Name:
L-Valinamide,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-(1,1-dimethylethoxy)-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-
CAS Number:
474645-25-5
Molecular Formula:
C40H59N3O7
Molecular Weight:
693.9124
MDL Number:
MFCD28386981
IUPAC Name:
tert-butyl (3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoate
InChI:
InChI=1S/C40H59N3O7/c1-13-26(6)36(32(48-12)22-33(44)50-40(7,8)9)42(10)38(46)34(24(2)3)41-37(45)35(25(4)5)43(11)39(47)49-23-31-29-20-16-14-18-27(29)28-19-15-17-21-30(28)31/h14-21,24-26,31-32,34-36H,13,22-23H2,1-12H3,(H,41,45)/t26-,32+,34-,35-,36-/m0/s1
InChI Key:
JJTGKUKIKMQVDD-SPEVZLOGSA-N
SMILES:
CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)C)C(C)C)C)[C@@H](CC(=O)OC(C)(C)C)OC)C
Properties
Complexity:
1110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
693.435g/mol
Formal Charge:
0
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
693.926g/mol
Monoisotopic Mass:
693.435g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3  
Properties