(R)-1-((S)-3-(4-(3-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-5-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyrrolidin-3-yl)ureido)phenyl)-2-((S)-2-(methylamino)propanamido)propanoyl)-3,3-dimethyl-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-azasilolidine-5-carboxamide
기본 정보
- 표준 SMILES
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(=O)N1C[Si](C)(C)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21- InChIKey
KLGVFNHMADBOTQ-BLGLJXBISA-N- 분자식
- C55H78N10O7Si
- 평균 분자량
- 1,019.4 g/mol
이름 및 식별자
- 우선 이름
- (R)-1-((S)-3-(4-(3-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-5-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyrrolidin-3-yl)ureido)phenyl)-2-((S)-2-(methylamino)propanamido)propanoyl)-3,3-dimethyl-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-azasilolidine-5-carboxamide
- IUPAC
- (5R)-1-[(2S)-3-[4-[[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]carbamoylamino]phenyl]-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]-3,3-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-azasilolidine-5-carboxamide
이름 및 동의어
SCHEMBL15424917KLGVFNHMADBOTQ-BLGLJXBISA-N(R)-1-((S)-3-(4-(3-((3S,5S)-1-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-5-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyrrolidin-3-yl)ureido)phenyl)-2-((S)-2-(methylamino)propanamido)propanoyl)-3,3-dimethyl-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-azasilolidine-5-carboxamide
데이터베이스 식별자
- PubChem CID
- 89930825
물성
구조 계산 물성
- 극성 표면적
- 222 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 73
- 형식 전하
- 0
- 복잡도
- 1,960
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