zjp

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 49
Total Number of Articles : 13
PubChem 137652104
Molecular Formula

C38H50N6O9S

SMILES

CC1=C(N=C2C=C(C=CC2=N1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7(CC7)C

InChI

InChI=1S/C38H50N6O9S/c1-23-33(40-30-19-26(51-3)15-16-28(30)39-23)52-27-20-31-32(45)42-38(35(47)43-54(49,50)37(2)17-18-37)21-24(38)11-7-5-4-6-8-14-29(34(46)44(31)22-27)41-36(48)53-25-12-9-10-13-25/h7,11,15-16,19,24-25,27,29,31H,4-6,8-10,12-14,17-18,20-22H2,1-3H3,(H,41,48)(H,42,45)(H,43,47)/b11-7-/t24-,27-,29+,31+,38-/m1/s1

synonyms
  • cyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
  • CHEMBL4076862
  • GKJ
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Properties
Property Value
MW 766.9 g/mol
HBD 3
HBA 11
Rotatable Bond Count 9
Exact Mass 766.33599837 g/mol
Monoisotopic Mass 766.33599837 g/mol
Heavy Atom Count 54
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1560
xlogp 4.4
Topological Polar Surface Area 204