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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H48N8O4
Molecular Weight 680.8389
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-AMINO-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)-, METHYL ESTER

SMILES

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@@H](N)C(C)C

InChI

InChIKey=MVHPYSUOFBRALS-YRCZKMHPSA-N
InChI=1S/C38H48N8O4/c1-22(2)32(39)36(47)45-18-6-8-30(45)34-40-20-28(42-34)26-14-10-24(11-15-26)25-12-16-27(17-13-25)29-21-41-35(43-29)31-9-7-19-46(31)37(48)33(23(3)4)44-38(49)50-5/h10-17,20-23,30-33H,6-9,18-19,39H2,1-5H3,(H,40,42)(H,41,43)(H,44,49)/t30-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H48N8O4
Molecular Weight 680.8389
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:35:23 GMT 2023
Edited
by admin
on Sat Dec 16 14:35:23 GMT 2023
Record UNII
5V6X9P8JH9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-AMINO-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)-, METHYL ESTER
Systematic Name English
DACLATASVIR METABOLITE 4
Common Name English
Code System Code Type Description
CAS
1007884-53-8
Created by admin on Sat Dec 16 14:35:23 GMT 2023 , Edited by admin on Sat Dec 16 14:35:23 GMT 2023
PRIMARY
FDA UNII
5V6X9P8JH9
Created by admin on Sat Dec 16 14:35:23 GMT 2023 , Edited by admin on Sat Dec 16 14:35:23 GMT 2023
PRIMARY
PUBCHEM
24897982
Created by admin on Sat Dec 16 14:35:23 GMT 2023 , Edited by admin on Sat Dec 16 14:35:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE