Home Carbonyls Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycyl-L-phenylalanyl-L-leucyl-, phenylmethyl ester

Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycyl-L-phenylalanyl-L-leucyl-, phenylmethyl ester

CAS No.:
200427-89-0
Catalog Number:
AG002CS1
Molecular Formula:
C31H42N4O7
Molecular Weight:
582.6878
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002CS1
Chemical Name:
Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycyl-L-phenylalanyl-L-leucyl-, phenylmethyl ester
CAS Number:
200427-89-0
Molecular Formula:
C31H42N4O7
Molecular Weight:
582.6878
MDL Number:
MFCD30749374
IUPAC Name:
benzyl 2-[[(2S)-4-methyl-2-[[(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]acetate
InChI:
InChI=1S/C31H42N4O7/c1-21(2)16-24(28(38)32-19-27(37)41-20-23-14-10-7-11-15-23)35-29(39)25(17-22-12-8-6-9-13-22)34-26(36)18-33-30(40)42-31(3,4)5/h6-15,21,24-25H,16-20H2,1-5H3,(H,32,38)(H,33,40)(H,34,36)(H,35,39)/t24-,25-/m0/s1
InChI Key:
OWDNFDHXFLQGQN-DQEYMECFSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)OCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C)C
Properties
Complexity:
890  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
582.305g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
582.698g/mol
Monoisotopic Mass:
582.305g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties