기본 정보
- CAS
612547-17-8- 표준 SMILES
CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1- InChIKey
ZRVQPJBFUVAVQF-VBTAUBHQSA-N- 분자식
- C36H49N5O6S
- 평균 분자량
- 679.9 g/mol
- 단동위원소 질량
- 679.34035529
이름 및 식별자
- 우선 이름
- N-[(1S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]carbamoyl]-2,2-diphenyl-ethyl]morpholine-4-carboxamide
- IUPAC
- N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-oxo-3,3-diphenylpropan-2-yl]morpholine-4-carboxamide
이름 및 동의어
CHEMBL207077SCHEMBL32679448ZRVQPJBFUVAVQF-VBTAUBHQSA-NDTXSID401100908MX-119612547-17-8N-[(1S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]carbamoyl]-2,2-diphenyl-ethyl]morpholine-4-carboxamide(1s,5s)-morpholine-4-carboxylic acid (1-{5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-amideMorpholine-4-carboxylic acid ((1S)-1-{(5S)-5-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2,2-diphenyl-ethyl)-amideN-[(1S)-1-[[[(5S)-5-[[(4-Aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]carbonyl]-2,2-diphenylethyl]-4-morpholinecarboxamide
데이터베이스 식별자
- CAS
612547-17-8- PubChem CID
- 513962
- DTXSID
DTXSID401100908- ChEMBL
CHEMBL207077
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
1건
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