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Details

Stereochemistry ABSOLUTE
Molecular Formula C50H67N7O9
Molecular Weight 910.1104
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-1246485

SMILES

CC(C)[C@@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)Nc2ccc(cc2)[C@]3([H])CC[C@@]([H])(c4ccc(cc4)NC(=O)[C@]5([H])CCCN5C(=O)[C@]([H])(C(C)C)N=C(O)OC)N3c6ccc(cc6)C(C)(C)CO)N=C(O)OC

InChI

InChIKey=CPOBWTCLJOJVDO-KHVQSSSXSA-N
InChI=1S/C50H67N7O9/c1-30(2)42(53-48(63)65-7)46(61)55-27-9-11-40(55)44(59)51-35-19-13-32(14-20-35)38-25-26-39(57(38)37-23-17-34(18-24-37)50(5,6)29-58)33-15-21-36(22-16-33)52-45(60)41-12-10-28-56(41)47(62)43(31(3)4)54-49(64)66-8/h13-24,30-31,38-43,58H,9-12,25-29H2,1-8H3,(H,51,59)(H,52,60)(H,53,63)(H,54,64)/t38-,39-,40-,41-,42-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula C50H67N7O9
Molecular Weight 910.1104
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:49:50 UTC 2021
Edited
by admin
on Sat Jun 26 14:49:50 UTC 2021
Record UNII
SR4MKJ0VKR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-1246485
Code English
OMBITASVIR METABOLITE M5
Common Name English
CARBAMIC ACID, N,N'-(((2S,5S)-1-(4-(2-HYDROXY-1,1-DIMETHYLETHYL)PHENYL)-2,5-PYRROLIDINEDIYL)BIS(4,1-PHENYLENEIMINOCARBONYL-(2S)-2,1-PYRROLIDINEDIYL((1S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL)))BIS-, C,C'-DIMETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
SR4MKJ0VKR
Created by admin on Sat Jun 26 14:49:50 UTC 2021 , Edited by admin on Sat Jun 26 14:49:50 UTC 2021
PRIMARY
PUBCHEM
59616939
Created by admin on Sat Jun 26 14:49:50 UTC 2021 , Edited by admin on Sat Jun 26 14:49:50 UTC 2021
PRIMARY
CAS
1258230-58-8
Created by admin on Sat Jun 26 14:49:50 UTC 2021 , Edited by admin on Sat Jun 26 14:49:50 UTC 2021
NON-SPECIFIC SUBSTITUTION
Related Record Type Details
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