200,000+ products from a single source!
sales@angenechem.com
70035-75-5 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[(2-bromoacetyl)amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,diphenylmethyl ester, (6R,7S)-
CAS No: 70035-75-5 Catalog No: AG005GBN MDL No:
Product Description
Catalog Number:
AG005GBN
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[(2-bromoacetyl)amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,diphenylmethyl ester, (6R,7S)-
CAS Number:
70035-75-5
Molecular Formula:
C26H25BrN6O5S2
Molecular Weight:
645.5479
IUPAC Name:
benzhydryl (6R,7S)-7-[(2-bromoacetyl)amino]-7-methoxy-8-oxo-3-[1-(2H-tetrazol-5-ylsulfanyl)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI:
InChI=1S/C26H25BrN6O5S2/c1-15(40-25-29-31-32-30-25)18-14-39-24-26(37-2,28-19(34)13-27)23(36)33(24)20(18)22(35)38-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,21,24H,13-14H2,1-2H3,(H,28,34)(H,29,30,31,32)/t15?,24-,26+/m1/s1
InChI Key:
HZPUFYPKSBSUHG-DAEQWJJKSA-N
SMILES:
BrCC(=O)N[C@]1(OC)C(=O)N2[C@@H]1SCC(=C2C(=O)OC(c1ccccc1)c1ccccc1)C(Sc1nnn[nH]1)C
EC Number:
615-054-6
Properties
Complexity:
977
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
644.051g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
645.547g/mol
Monoisotopic Mass:
644.051g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.