기본 정보
- 표준 SMILES
CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/C1CN(C(=O)OC(C)(C)C)C1- InChIKey
GARBHORBEOVGKQ-ULXXJSLMSA-N- 분자식
- C36H44N4O5
- 평균 분자량
- 612.8 g/mol
이름 및 식별자
- 우선 이름
- 3-((E)-2-(methyl((1R)-1-(methyl((1R)-1-(methylcarbamoyl)-2-phenylethyl)carbamoyl)-2-(2-naphthyl)ethyl)carbamoyl)vinyl)azetidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[(E)-3-[methyl-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-oxoprop-1-enyl]azetidine-1-carboxylate
이름 및 동의어
SCHEMBL6324706GARBHORBEOVGKQ-ULXXJSLMSA-N3-((E)-2-(methyl((1R)-1-(methyl((1R)-1-(methylcarbamoyl)-2-phenylethyl)carbamoyl)-2-(2-naphthyl)ethyl)carbamoyl)vinyl)azetidine-1-carboxylic acid tert-butyl ester3-((E)-2-(Methyl((1R)-1-(methyl-((1R)-1-(methylcarbamoyl)-2-phenylethyl)-carbamoyl)-2-(2-naphthyl)ethyl)carbamoyl)vinyl)azetidine-1-carboxylic acid tert-butyl ester3-((E)-2-(Methyl((1R)-1-(methyl-((1R)-1-(methylcarbamoyl)-2-phenylethyl)carbamoyl)-2-(2-naphthyl)ethyl)carbamoyl)vinyl)azetidine-1-carboxylic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 59057257
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 99.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,060
관련 반응
6건
연결된 노트
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