(1-{N'-(4-Bromobenzyl)-N'-[3-(2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-3-hydroxy-4-phenyl-butyl]-hydrazinocarbonyl}2,2-dimethylpropyl)carbamic acid methyl ester

HCID 68677269

기본 정보

표준 SMILES
CNC(=O)C(NC(=O)C(O)(CCN(Cc1ccc(Br)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C
InChIKey
AOSANDQFJSELGC-UHFFFAOYSA-N
분자식
C33H48BrN5O6
평균 분자량
690.7 g/mol

이름 및 식별자

우선 이름
(1-{N'-(4-Bromobenzyl)-N'-[3-(2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-3-hydroxy-4-phenyl-butyl]-hydrazinocarbonyl}2,2-dimethylpropyl)carbamic acid methyl ester
IUPAC
methyl N-[1-[2-[3-benzyl-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-4-oxobutyl]-2-[(4-bromophenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

이름 및 동의어

SCHEMBL3527106AOSANDQFJSELGC-UHFFFAOYSA-N(1-{N'-(4-Bromobenzyl)-N'-[3-(2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-3-hydroxy-4-phenyl-butyl]-hydrazinocarbonyl}2,2-dimethylpropyl)carbamic acid methyl ester

데이터베이스 식별자

PubChem CID
68677269

물성

구조 계산 물성

XLogP
5.4
극성 표면적
149 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
7
회전 가능 결합 수
16
무거운 원자 수
45

관련 반응

4건

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