기본 정보
- CAS
162478-50-4- 표준 SMILES
COC[C@H]1C(=O)NCC(=O)N2NCCC[C@H]2C(=O)N(O)[C@H](C)C(=O)O[C@@H](C(C)C)[C@H](NC(=O)[C@](C)(O)[C@]2(O)CC[C@@H](CC(C)C)[C@H](C)O2)C(=O)N2NCCC[C@@H]2C(=O)N1O- InChIKey
JSVPJXYQXDNLRD-UHFFFAOYSA-N- 분자식
- C38H64N8O14
- 평균 분자량
- 857 g/mol
- 단동위원소 질량
- 856.45419875
개요
Aurantimycin A is a cyclodepsipeptide.
이름 및 식별자
- 우선 이름
- Aurantimycin A
- IUPAC
- (2R)-N-[(6S,9R,16S,17S,20R,23S)-7,21-dihydroxy-6-(methoxymethyl)-20-methyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-6-methyl-5-(2-methylpropyl)oxan-2-yl]propanamide
- 현지명
- 아우란티마이신A
- 영어명
- AURANTIMYCIN A
- 분자식
- C38H64N8O14
- 분자량
- 856.96
이름 및 동의어
AURANTIMYCIN A162478-50-4(2R)-N-[(6S,9R,16S,17S,20R,23S)-7,21-dihydroxy-6-(methoxymethyl)-20-methyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-6-methyl-5-(2-methylpropyl)oxan-2-yl]propanamide(2R)-N-((6S,9R,16S,17S,20R,23S)-7,21-dihydroxy-6-(methoxymethyl)-20-methyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo(21.4.0.09,14)heptacosan-16-yl)-2-hydroxy-2-((2S,5S,6S)-2-hydroxy-6-methyl-5-(2-methylpropyl)oxan-2-yl)propanamideRefChem:115585AurantimycinCHEMBL1241097SCHEMBL29884402CHEBI:214373C38H64N8O14HY-P1699MFCD08062296
이름 더 보기
아우란티마이신AAurantimycin A, Depsipeptide antibioticD-Alanine, (3S)-3-hydroxy-N-[(2R)-2-hydroxy-1-oxo-2-[(2S,5S,6S)-tetrahydro-2-hydroxy-6-methyl-5-(2-methylpropyl)-2H-pyran-2-yl]propyl]-L-leucyl-(3R)-hexahydro-3-pyridazinecarbonyl-N-hydroxy-O-methyl-L-serylglycyl-(3S)-hexahydro-3-pyridazinecarbonyl-N-hydroxy-, (6→13)-lactone
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 289 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,600
물리화학적 성질
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.36 · 8.36±0.70(Predicted)
화학 및 산업
공급사7 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
Aladdin Scientific[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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