기본 정보
- 표준 SMILES
CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(Cc2ccc(F)cc2)NC(=O)C(Cc2ccccc2O)NC(C)=O)C(CCOC(C)=O)C1- InChIKey
KEVMESUTMYOKHY-UHFFFAOYSA-N- 분자식
- C42H48FN5O7
- 평균 분자량
- 753.9 g/mol
이름 및 식별자
- 우선 이름
- Acetic acid 2-[1-{2-[2-acetylamino-3-(hydroxyphenyl)propionyl-amino]-3-(4-fluorophenyl)propionyl}-4-(1-methylcarbamoyl-2-naphthalen-2-ylethyl)-piperazin-2-yl]ethyl ester
- IUPAC
- 2-[1-[2-[[2-acetamido-3-(2-hydroxyphenyl)propanoyl]amino]-3-(4-fluorophenyl)propanoyl]-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]piperazin-2-yl]ethyl acetate
이름 및 동의어
SCHEMBL5993565KEVMESUTMYOKHY-UHFFFAOYSA-Nacetic acid 2-[1-{2-[2-acetylamino-3-(hydroxyphenyl)-propionylamino]-3-(4-fluorophenyl)propionyl}-4-(1-methylcarbamoyl-2-naphthalen-2-ylethyl)-piperazin-2-yl]ethyl esteracetic acid 2-[1-{2-[2-acetylamino-3-(hydroxyphenyl)-propionylamino]-3-(4-fluorophenyl)propionyl}4-(1-methylcarbamoyl-2-naphthalen-2-ylethyl)-piperazin-2-yl]ethyl esteracetic acid 2-[1-{2-[2-acetylamino-3-(hydroxyphenyl)propionyl-amino]-3-(4-fluorophenyl)propionyl}-4-(1-methylcarbamoyl-2-naphthalen-2-ylethyl)-piperazin-2-yl]ethyl esteracetic acid 2-[1-{2-[2-acetylamino-3-(hydroxyphenyl)propionylamino]-3-(4-fluorophenyl)propionyl}-4-(1-methylcarbamoyl-2-naphthalen-2-ylethyl)piperazin-2-yl]ethyl ester
데이터베이스 식별자
- PubChem CID
- 69629098
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,300
관련 반응
3건
연결된 노트
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