200,000+ products from a single source!
sales@angenechem.com
150618-12-5 | Heptanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-7-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester, (S)- (9CI)
CAS No: 150618-12-5 Catalog No: AG001MRE MDL No:
Product Description
Catalog Number:
AG001MRE
Chemical Name:
Heptanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-7-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester, (S)- (9CI)
CAS Number:
150618-12-5
Molecular Formula:
C22H32N2O7
Molecular Weight:
436.4987
IUPAC Name:
ethyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-7-(phenylmethoxycarbonylamino)heptanoate
InChI:
InChI=1S/C22H32N2O7/c1-5-29-19(26)14-18(25)17(24-21(28)31-22(2,3)4)12-9-13-23-20(27)30-15-16-10-7-6-8-11-16/h6-8,10-11,17H,5,9,12-15H2,1-4H3,(H,23,27)(H,24,28)/t17-/m0/s1
InChI Key:
BVSQWZNXUCGKIW-KRWDZBQOSA-N
SMILES:
CCOC(=O)CC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCNC(=O)OCc1ccccc1
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
436.221g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.505g/mol
Monoisotopic Mass:
436.221g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.