기본 정보
- 표준 SMILES
COc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)N2CCOCC2)cc1- InChIKey
XIHRHJPSBGLHHO-ZQAZVOLISA-N- 분자식
- C35H48N4O7S
- 평균 분자량
- 668.8 g/mol
이름 및 식별자
- 우선 이름
- N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]hexyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide
- IUPAC
- N-[(2S)-1-[[(5S)-6-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]morpholine-4-carboxamide
이름 및 동의어
SCHEMBL30589302XIHRHJPSBGLHHO-ZQAZVOLISA-NMX-133(1s,5s)-morpholine-4-carboxylic acid (1-{6-hydroxy-5-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-hexylcarbamoyl}-2-naphthalen-1-yl-ethyl)-amideMorpholine-4-carboxylic acid ((1S)-1-{(5S)-6-hydroxy-5-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-hexylcarbamoyl}-2-naphthalen-1-yl-ethyl)-amideN-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]hexyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide
데이터베이스 식별자
- PubChem CID
- 513967
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,060
관련 반응
1건
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