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98328-00-8 | pyrrolo[3,2-e]indole-3(2h)-carboxamide, 7-[[7-[[1-[(acetyloxy)methyl]-1,6-dihydro-5-hydroxy-8-methylpyrrolo[3,2-e]indol-3(2h)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxypyrrolo[3,2-e]indol-3(2h)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxy-
CAS No: 98328-00-8 Catalog No: AG005VFE MDL No:
Product Description
Catalog Number:
AG005VFE
Chemical Name:
pyrrolo[3,2-e]indole-3(2h)-carboxamide, 7-[[7-[[1-[(acetyloxy)methyl]-1,6-dihydro-5-hydroxy-8-methylpyrrolo[3,2-e]indol-3(2h)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxypyrrolo[3,2-e]indol-3(2h)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxy-
CAS Number:
98328-00-8
Molecular Formula:
C39H37N7O10
Molecular Weight:
763.7520
IUPAC Name:
[6-[6-(6-carbamoyl-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-5-hydroxy-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-8-yl]methyl acetate
InChI:
InChI=1S/C39H37N7O10/c1-15-12-41-30-25(48)11-24-27(26(15)30)17(14-56-16(2)47)13-46(24)38(52)23-10-20-18-5-7-44(31(18)33(49)35(54-3)28(20)43-23)37(51)22-9-21-19-6-8-45(39(40)53)32(19)34(50)36(55-4)29(21)42-22/h9-12,17,41-43,48-50H,5-8,13-14H2,1-4H3,(H2,40,53)
InChI Key:
HCRIJRGBRGYYMN-UHFFFAOYSA-N
SMILES:
COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC(c2c1cc(O)c1c2c(C)c[nH]1)COC(=O)C)C(=O)c1[nH]c2c(c1)c1CCN(c1c(c2OC)O)C(=O)N
Properties
Complexity:
1580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
763.26g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
763.764g/mol
Monoisotopic Mass:
763.26g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
240A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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