2-(4-(4-(2-((2S)-1-((2S)-2-(METHOXYCARBONYLAMINO)-3-METHYL-BUTANOYL)PYRROLIDIN-2-YL)-1H-IMIDAZOL-5-YL)PHENYL)PHENYL)-2-OXO-ACETIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H30N4O6
Molecular Weight	518.561
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(4-(4-(2-((2S)-1-((2S)-2-(METHOXYCARBONYLAMINO)-3-METHYL-BUTANOYL)PYRROLIDIN-2-YL)-1H-IMIDAZOL-5-YL)PHENYL)PHENYL)-2-OXO-ACETIC ACID

Structure Search

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)C(=O)C(O)=O

InChI

InChIKey=LSTGPXVWUDIVSH-GOTSBHOMSA-N

InChI=1S/C28H30N4O6/c1-16(2)23(31-28(37)38-3)26(34)32-14-4-5-22(32)25-29-15-21(30-25)19-10-6-17(7-11-19)18-8-12-20(13-9-18)24(33)27(35)36/h6-13,15-16,22-23H,4-5,14H2,1-3H3,(H,29,30)(H,31,37)(H,35,36)/t22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H30N4O6
Molecular Weight	518.561
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:33:38 UTC 2023` Edited by `admin` on `Sat Dec 16 14:33:38 UTC 2023`
Record UNII	3BP5HX5KJU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(4-(4-(2-((2S)-1-((2S)-2-(METHOXYCARBONYLAMINO)-3-METHYL-BUTANOYL)PYRROLIDIN-2-YL)-1H-IMIDAZOL-5-YL)PHENYL)PHENYL)-2-OXO-ACETIC ACID

Systematic Name

English

DACLATASVIR METABOLITE 8

Common Name

English

Code System Code Type Description

FDA UNII

3BP5HX5KJU

Created by admin on Sat Dec 16 14:33:38 UTC 2023 , Edited by admin on Sat Dec 16 14:33:38 UTC 2023

PRIMARY

PUBCHEM

156596762

Created by admin on Sat Dec 16 14:33:38 UTC 2023 , Edited by admin on Sat Dec 16 14:33:38 UTC 2023

PRIMARY

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DACLATASVIR

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