{1-[N'-(3-(2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-3-hydroxy-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}carbamic acid methyl ester
기본 정보
- 표준 SMILES
CNC(=O)C(NC(=O)C(O)(CCN(Cc1ccc(-c2cccnc2)cc1)NC(=O)C(NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C- InChIKey
DRGBSXLVSCWXDO-UHFFFAOYSA-N- 분자식
- C38H52N6O6
- 평균 분자량
- 688.9 g/mol
이름 및 식별자
- 우선 이름
- {1-[N'-(3-(2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-3-hydroxy-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}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-pyridin-3-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
SCHEMBL3531768DRGBSXLVSCWXDO-UHFFFAOYSA-N{1-[N'-(3-(2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-3-hydroxy-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}carbamic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 68678997
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 162 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,110
관련 반응
2건
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