(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

(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

BOCEPREVIR METABOLITE M11,M16

Common Name

English

SCH 641574

Common Name

English

Code System Code Type Description

FDA UNII

N5ZB5VRM5K

Created by admin on Sat Dec 16 15:02:48 GMT 2023 , Edited by admin on Sat Dec 16 15:02:48 GMT 2023