Monodes(N-carboxymethyl)valine Daclatasvir Hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H39N7O3.3ClH
Molecular Weight	691.091
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Monodes(N-carboxymethyl)valine Daclatasvir Hydrochloride

Structure Search

SMILES

Cl.Cl.Cl.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]6CCCN6

InChI

InChIKey=IKMPDBICSMYUEC-MXFGYMLFSA-N

InChI=1S/C33H39N7O3.3ClH/c1-20(2)29(39-33(42)43-3)32(41)40-17-5-7-28(40)31-36-19-27(38-31)24-14-10-22(11-15-24)21-8-12-23(13-9-21)26-18-35-30(37-26)25-6-4-16-34-25;;;/h8-15,18-20,25,28-29,34H,4-7,16-17H2,1-3H3,(H,35,37)(H,36,38)(H,39,42);3*1H/t25-,28-,29-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C33H39N7O3
Molecular Weight	581.7079
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:39:57 GMT 2025` Edited by `admin` on `Wed Apr 02 17:39:57 GMT 2025`
Record UNII	VV5GL9HF45
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Carbamic acid, N-[(1S)-2-methyl-1-[[(2S)-2-[5-[4?-[2-(2S)-2-pyrrolidinyl-1H-imidazol-5-yl][1,1?-biphenyl]-4-yl]-1H-imidazol-2-yl]-1-pyrrolidinyl]carbonyl]propyl]-, methyl ester, hydrochloride (1:3)

Preferred Name

English

Monodes(N-carboxymethyl)valine Daclatasvir Hydrochloride

Common Name

English

Methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-(4'-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate trihydrochloride

Systematic Name

English

Code System Code Type Description

CAS

1258311-20-4

Created by admin on Wed Apr 02 17:39:57 GMT 2025 , Edited by admin on Wed Apr 02 17:39:57 GMT 2025

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PUBCHEM

146071934

Created by admin on Wed Apr 02 17:39:57 GMT 2025 , Edited by admin on Wed Apr 02 17:39:57 GMT 2025

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FDA UNII

VV5GL9HF45

Created by admin on Wed Apr 02 17:39:57 GMT 2025 , Edited by admin on Wed Apr 02 17:39:57 GMT 2025

PRIMARY

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Monodes(N-carboxymethyl)valine Daclatasvir

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Amount: