기본 정보
- 표준 SMILES
CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCC(C)(C)OC(C)=O- InChIKey
DPRQPDDVGGETSG-KAYWLYCHSA-N- 분자식
- C30H37N3O4
- 평균 분자량
- 503.6 g/mol
이름 및 식별자
- 우선 이름
- 1,1-dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenylpropionylamino)ethyl acetate
- IUPAC
- [2-methyl-1-[[(2R)-2-[methyl-[(2R)-2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoyl]amino]propan-2-yl] acetate
이름 및 동의어
SCHEMBL6317085DPRQPDDVGGETSG-KAYWLYCHSA-N1 ,1-dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenylpropionylamino)ethyl acetate1 ,1dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenyl-propionylamino)ethyl acetate1,1-Dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propion-yl)amino)-3-phenylpropionylamino)ethyl Acetate1,1-dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenyl propionylamino)ethyl acetate1,1-dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenyl-propionylamino)ethyl acetate1,1-dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenylpropionylamino)ethyl acetate1,1dimethyl-2-((2R)-2-(N-methyl-N-((2R)-2-methylamino-3-(2-naphthyl)propionyl)amino)-3-phenyl-propionylamino)ethyl acetate
데이터베이스 식별자
- PubChem CID
- 53772610
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 87.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 764
관련 반응
7건
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