N-[(1S)-2-[[(4S)-4-[(4-aminophenyl)sulfonyl-isobutyl-amino]-5-hydroxy-pentyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide
기본 정보
- 표준 SMILES
CC(C)CN([C@H](CO)CCCNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)N1CCOCC1)S(=O)(=O)c1ccc(N)cc1- InChIKey
MWGPFINLVNATIL-IZEXYCQBSA-N- 분자식
- C33H45N5O6S
- 평균 분자량
- 639.8 g/mol
이름 및 식별자
- 우선 이름
- N-[(1S)-2-[[(4S)-4-[(4-aminophenyl)sulfonyl-isobutyl-amino]-5-hydroxy-pentyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide
- IUPAC
- N-[(2S)-1-[[(4S)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-5-hydroxypentyl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]morpholine-4-carboxamide
이름 및 동의어
MWGPFINLVNATIL-IZEXYCQBSA-NMX-99(1s,4s)-morpholine-4-carboxylic acid (1-{4-[(4-amino-benzenesulfonyl)-isobutyl-amino]-5-hydroxy-pentylcarbamoyl}-2-naphthalen-1-yl-ethyl)-amideMorpholine-4-carboxylic acid ((1S)-1-{(4S)-4-[(4-amino-benzenesulfonyl)-isobutyl-amino]-5-hydroxy-pentylcarbamoyl}-2-naphthalen-1-yl-ethyl)-amideN-[(1S)-2-[[(4S)-4-[(4-aminophenyl)sulfonyl-isobutyl-amino]-5-hydroxy-pentyl]amino]-1-(1-naphthylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide
데이터베이스 식별자
- PubChem CID
- 513926
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,030
관련 반응
1건
화합물 노트
불러오는 중…