BIBO-3304

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H35N7O3.C2HF3O2
Molecular Weight	643.6566
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H](NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NCC3=CC=C(CNC(N)=O)C=C3

InChI

InChIKey=FBMCYYWIBYEOST-GJFSDDNBSA-N

InChI=1S/C29H35N7O3.C2HF3O2/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39);(H,6,7)/t24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C29H35N7O3
Molecular Weight	529.6333
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C2HF3O2
Molecular Weight	114.0233
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:27:33 UTC 2023` Edited by `admin` on `Sat Dec 16 09:27:33 UTC 2023`
Record UNII	O35HK034KO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIBO-3304

Common Name

English

BENZENEACETAMIDE, N-((1R)-1-((((4-(((AMINOCARBONYL)AMINO)METHYL)PHENYL)METHYL)AMINO)CARBONYL)-4-((AMINOIMINOMETHYL)AMINO)BUTYL)-.ALPHA.-PHENYL-, MONO(TRIFLUOROACETATE)

Systematic Name

English

BENZENEACETAMIDE, N-(1-((((4-(((AMINOCARBONYL)AMINO)METHYL)PHENYL)METHYL)AMINO)CARBONYL)-4-((AMINOIMINOMETHYL)AMINO)BUTYL)-.ALPHA.-PHENYL-, (R)-, MONO(TRIFLUOROACETATE)

Systematic Name

English

BENZENEACETAMIDE, N-((1R)-1-((((4-(((AMINOCARBONYL)AMINO)METHYL)PHENYL)METHYL)AMINO)CARBONYL)-4-((AMINOIMINOMETHYL)AMINO)BUTYL)-.ALPHA.-PHENYL-, TRIFLUOROACETATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

O35HK034KO

Created by admin on Sat Dec 16 09:27:33 UTC 2023 , Edited by admin on Sat Dec 16 09:27:33 UTC 2023

PRIMARY

CAS

191868-14-1

Created by admin on Sat Dec 16 09:27:33 UTC 2023 , Edited by admin on Sat Dec 16 09:27:33 UTC 2023

PRIMARY

PUBCHEM

5311021

Created by admin on Sat Dec 16 09:27:33 UTC 2023 , Edited by admin on Sat Dec 16 09:27:33 UTC 2023

PRIMARY

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