Benzyl [2-[({4-[(3R,4S,5S)-3-[(tert-Butoxycarbonyl)amino]-5-methyl-4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl]pyridin-3-yl}amino)carbonyl]-7-(4-methylpiperazin-1-yl)quinolin-3-yl]carbamate
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- 표준 SMILES
C[C@H]1CN(c2ccncc2NC(=O)c2nc3cc(N4CCN(C)CC4)ccc3cc2NC(=O)OCc2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1n1ccnn1- InChIKey
SVGGTTODHKJJLT-CEMYNBOMSA-N- 분자식
- C41H49N11O5
- 평균 분자량
- 775.9 g/mol
이름 및 식별자
- 우선 이름
- Benzyl [2-[({4-[(3R,4S,5S)-3-[(tert-Butoxycarbonyl)amino]-5-methyl-4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl]pyridin-3-yl}amino)carbonyl]-7-(4-methylpiperazin-1-yl)quinolin-3-yl]carbamate
- IUPAC
- tert-butyl N-[(3R,4S,5S)-5-methyl-1-[3-[[7-(4-methylpiperazin-1-yl)-3-(phenylmethoxycarbonylamino)quinoline-2-carbonyl]amino]-4-pyridinyl]-4-(triazol-1-yl)piperidin-3-yl]carbamate
이름 및 동의어
SCHEMBL15883546SVGGTTODHKJJLT-CEMYNBOMSA-NBenzyl [2-[({4-[(3R,4S,5S)-3-[(tert-Butoxycarbonyl)amino]-5-methyl-4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl]pyridin-3-yl}amino)carbonyl]-7-(4-methylpiperazin-1-yl)quinolin-3-yl]carbamateBenzyl[2-[({4-[(3R,4S,5S)-3-[(tert-Butoxycarbonyl)amino]-5-methyl-4-(1H-1, 2,3-triazol-1-yl)piperidin-1-yl]pyridin-3-yl}amino)carbonyl]-7-(4-methylpiperazin-1-yl)quinolin-3-yl]carbamatebenzyl[2-[({4-[(3R,4S,5S)-3-[(tert-butoxycarbonyl)amino]-5-methyl-4-(1H-1,2,3-triazol-1-yl)piperidin-1-yl]pyridin-3-yl}amino)carbonyl]-7-(4-methylpiperazin-1-yl)quinolin-3-yl]carbamate
데이터베이스 식별자
- PubChem CID
- 86726951
물성
구조 계산 물성보충 중
- XLogP
- 4.7
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,340
관련 반응
2건
화합물 노트
불러오는 중…