기본 정보
- CAS
169062-92-4- 표준 SMILES
CO[C@H](c1ccccc1)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C[C@@H](C)CO)N(C)C(=O)[C@H]([C@H](O)c2cn(C(C)(C)[C@@H]3CO3)c3ccccc23)NC(=O)[C@H]([C@H](C)C=C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC1=O- InChIKey
WCNJVJCYRBJSLC-BCJYPDSRSA-N- 분자식
- C56H82N8O11
- 평균 분자량
- 1,043.3 g/mol
- 단동위원소 질량
- 1,042.61030546
개요
Cyclomarin A is a keratan 6'-sulfate and an azamacrocycle.
이름 및 식별자
- 우선 이름
- Cyclomarin A
- IUPAC
- (3S,6S,9S,12S,15S,18S,21S)-21-[(2R)-3-hydroxy-2-methylpropyl]-3-[(R)-hydroxy-[1-[2-[(2R)-oxiran-2-yl]propan-2-yl]indol-3-yl]methyl]-15-[(R)-methoxy(phenyl)methyl]-1,10,18-trimethyl-6-[(2R)-4-methylpent-3-en-2-yl]-9-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
- 현지명
- 사이클로마린A
- 영어명
- Cyclomarin A
- 분자식
- C56H82N8O11
- 분자량
- 1043.3
이름 및 동의어
CYCLOMARIN A169062-92-4(3S,6S,9S,12S,15S,18S,21S)-21-[(2R)-3-Hydroxy-2-methylpropyl]-3-[(R)-hydroxy-[1-[2-[(2R)-oxiran-2-yl]propan-2-yl]indol-3-yl]methyl]-15-[(R)-methoxy(phenyl)methyl]-1,10,18-trimethyl-6-[(2R)-4-methylpent-3-en-2-yl]-9-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptoneDTXSID601347033(3S,6S,9S,12S,15S,18S,21S)-21-((2R)-3-hydroxy-2-methylpropyl)-3-((R)-hydroxy-(1-(2-((2R)-oxiran-2-yl)propan-2-yl)indol-3-yl)methyl)-15-((R)-methoxy(phenyl)methyl)-1,10,18-trimethyl-6-((2R)-4-methylpent-3-en-2-yl)-9-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptoneRefChem:129767DTXCID101775748CYMACHEBI:182606WCNJVJCYRBJSLC-BCJYPDSRSA-NGLXC-22020사이클로마린A
이름 더 보기
Cyclo[L-alanyl-(βR)-β-methoxy-L-phenylalanyl-L-valyl-N-methyl-L-leucyl-(3R)-4,5-didehydro-3,5-dimethyl-L-norleucyl-(βR)-β-hydroxy-1-[1-methyl-1-(2R)-2-oxiranylethyl]-L-tryptophyl-(4R)-5-hydroxy-N-methyl-L-leucyl]
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 253 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 75
- 형식 전하
- 0
- 복잡도
- 2,020
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationCyclomarin A: Does not have an individual approval but may be used under an appropriate group standard
관련 반응
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