(1S,4S,5R)-N-(3-AMINO-1-((3-HYDROXYCYCLOBUTYL)METHYL)-2,3-DIOXO-PROPYL)-3-((2S)-2-(TERT-BUTYLCARBAMOYLAMINO)-3,3-DIMETHYL-BUTANOYL)-6,6-DIMETHYL-3-AZABICYCLO(3.1.0)HEXANE-4-CARBOXAMIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H45N5O6
Molecular Weight	535.6761
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1S,4S,5R)-N-(3-AMINO-1-((3-HYDROXYCYCLOBUTYL)METHYL)-2,3-DIOXO-PROPYL)-3-((2S)-2-(TERT-BUTYLCARBAMOYLAMINO)-3,3-DIMETHYL-BUTANOYL)-6,6-DIMETHYL-3-AZABICYCLO(3.1.0)HEXANE-4-CARBOXAMIDE

Structure Search

SMILES

CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CC(O)C3)C(=O)C(N)=O)C2(C)C)C(C)(C)C

InChI

InChIKey=ULGKGIUMJNAJAF-HDGWOTDFSA-N

InChI=1S/C27H45N5O6/c1-25(2,3)20(30-24(38)31-26(4,5)6)23(37)32-12-15-17(27(15,7)8)18(32)22(36)29-16(19(34)21(28)35)11-13-9-14(33)10-13/h13-18,20,33H,9-12H2,1-8H3,(H2,28,35)(H,29,36)(H2,30,31,38)/t13?,14?,15-,16?,17-,18-,20+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

BOCEPREVIR METABOLITE M11,M16

Preferred Name

English

(1S,4S,5R)-N-(3-AMINO-1-((3-HYDROXYCYCLOBUTYL)METHYL)-2,3-DIOXO-PROPYL)-3-((2S)-2-(TERT-BUTYLCARBAMOYLAMINO)-3,3-DIMETHYL-BUTANOYL)-6,6-DIMETHYL-3-AZABICYCLO(3.1.0)HEXANE-4-CARBOXAMIDE

Common Name

English

SCH 641574

Common Name

English

Code System Code Type Description

FDA UNII

N5ZB5VRM5K

Created by admin on Wed Apr 02 03:14:46 GMT 2025 , Edited by admin on Wed Apr 02 03:14:46 GMT 2025

PRIMARY

PUBCHEM

44560882