기본 정보
- 표준 SMILES
CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(N)c1- InChIKey
LGHZOCWAUKPCDA-DHIFEGFHSA-N- 분자식
- C34H47FN4O6S
- 평균 분자량
- 658.8 g/mol
이름 및 식별자
- 우선 이름
- (1S,5S)-(1-{5-[(3-Amino-4-fluoro-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2-naphthalen-2-yl-ethyl)-carbamic Acid tert-Butyl Ester
- IUPAC
- tert-butyl N-[(2S)-1-[[(5S)-5-[(3-amino-4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
이름 및 동의어
SCHEMBL2782798SCHEMBL29656353LGHZOCWAUKPCDA-DHIFEGFHSA-NMX-236((1S)-1-{(5S)-5-[(3-Amino-4-fluoro-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2-naphthalen-2-yl-ethyl)-carbamic acid tert-butyl ester(1S,5S)-(1-{5-[(3-Amino-4-fluoro-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2-naphthalen-2-yl-ethyl)-carbamic Acid tert-Butyl Estertert-butyl N-[(1S)-2-[[(5S)-5-[(3-amino-4-fluoro-phenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamate
데이터베이스 식별자
- PubChem CID
- 514012
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,060
관련 반응
1건
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