Home Carboxys L-Valinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methylalanyl-N-[(1S,2S)-1-[(1R)-2-carboxy-1-methoxyethyl]-2-methylbutyl]-N-methyl-

L-Valinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methylalanyl-N-[(1S,2S)-1-[(1R)-2-carboxy-1-methoxyethyl]-2-methylbutyl]-N-methyl-

CAS No.:
1438851-55-8
Catalog Number:
AG00ABOC
Molecular Formula:
C34H47N3O7
Molecular Weight:
609.7529
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Product Description
Catalog Number:
AG00ABOC
Chemical Name:
L-Valinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methylalanyl-N-[(1S,2S)-1-[(1R)-2-carboxy-1-methoxyethyl]-2-methylbutyl]-N-methyl-
CAS Number:
1438851-55-8
Molecular Formula:
C34H47N3O7
Molecular Weight:
609.7529
MDL Number:
MFCD28900749
IUPAC Name:
(3R,4S,5S)-4-[[(2S)-1-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methoxy-5-methylheptanoic acid
InChI:
InChI=1S/C34H47N3O7/c1-9-21(4)30(27(43-8)18-28(38)39)37(7)29(20(2)3)31(40)35-32(41)34(5,6)36-33(42)44-19-26-24-16-12-10-14-22(24)23-15-11-13-17-25(23)26/h10-17,20-21,26-27,29-30H,9,18-19H2,1-8H3,(H,36,42)(H,38,39)(H,35,40,41)/t21-,27+,29-,30-/m0/s1
InChI Key:
SQGBBBRRYJZSFS-JCAQUDJLSA-N
SMILES:
CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)NC(=O)C(NC(=O)OCC1c2ccccc2c2c1cccc2)(C)C)C)[C@@H](CC(=O)O)OC)C
Properties
Complexity:
979  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
609.341g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
609.764g/mol
Monoisotopic Mass:
609.341g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties