기본 정보
- CAS
270902-51-7- 표준 SMILES
CO[C@@H](C(=O)N[C@H]1CC[C@@H](OC(=O)C2CCCCC2)CNC1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C- InChIKey
XSYJUVKQRPLTAU-RFBLJDOJSA-N- 분자식
- C25H42N2O8
- 평균 분자량
- 498.6 g/mol
- 단동위원소 질량
- 498.2941163
이름 및 식별자
- 우선 이름
- Laf-389
- IUPAC
- [(3R,6S)-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enoyl]amino]azepan-3-yl] cyclohexanecarboxylate
- 영어명
- LAF389
- 분자식
- C25H42N2O8
- 분자량
- 498.61
이름 및 동의어
270902-51-7LAF389LAF-389LAF 389XAE4WV436TNVP-LAF-389RefChem:924481CHEMBL4078211(3R,6S)-7-Oxo-6-((2R,3R,4S,5R,E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamido)azepan-3-yl cyclohexanecarboxylate((3R,6S)-7-Oxo-6-(((E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-non-6-enoyl)amino)azepan-3-yl) cyclohexanecarboxylate(6E)-N-((3S,6R)-6-((Cyclohexylcarbonyl)oxy)hexahydro-2-oxo-1H-azepin-3-yl)-6,7,8,9-tetradeoxy-8,8-dimethyl-2-O-methyl-D-gulo-non-6-enonamideCyclohexanecarboxylic acid 7-oxo-6(S)-((2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-6-nonenamido)perhydroazepin-3(R)-yl ester
이름 더 보기
LAF389 (LAF-389Cyclohexanecarboxylic acid 7-oxo-6(S)-[(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-2-Methoxy-8,8-diMethyl-6-nonenaMido]perhydroazepin-3(R)-yl esterD-gulo-Non-6-enonamide, N-[(3S,6R)-6-[(cyclohexylcarbonyl)oxy]hexahydro-2-oxo-1H-azepin-3-yl]-6,7,8,9-tetradeoxy-8,8-dimethyl-2-O-methyl-, (6E)-
D-GULO-NON-6-enonamide, N-((3S,6R)-6-((cyclohexylcarbonyl)oxy)hexahydro-2-oxo-1H-azepin-3-yl)-6,7,8,9-tetradeoxy-8,8-dimethyl-2-O-methyl-, (6E)-starbld0025903UNII-XAE4WV436T[(3R,6S)-7-oxo-6-[[(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enoyl]amino]azepan-3-yl] cyclohexanecarboxylateSCHEMBL6603391BDBM50267193PD129207
데이터베이스 식별자
- CAS
270902-51-7- PubChem CID
- 9892113
- ChEMBL
CHEMBL4078211- UNII
- XAE4WV436T
- Nikkaji
- J1.638.275B
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 744
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