기본 정보
- CAS
156312-08-2- 표준 SMILES
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2c(C(=O)C3=NCCC3)[nH]c3cccc(c23)N1C- InChIKey
CKUVDIKBGLVWTK-RBZFPXEDSA-N- 분자식
- C22H28N4O3
- 평균 분자량
- 396.5 g/mol
- 단동위원소 질량
- 396.21614077
개요
Blastmycetin F has been reported in Streptomyces blastmyceticus with data available.
이름 및 식별자
- 우선 이름
- Blastmycetin F
- IUPAC
- (10S,13S)-2-(3,4-dihydro-2H-pyrrole-5-carbonyl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one
- 현지명
- 블라스트마이세틴F
- 영어명
- blastmycetin F
- 분자식
- C22H28N4O3
- 분자량
- 396.48
이름 및 동의어
Blastmycetin F156312-08-2DTXSID20166076(10S,13S)-2-(3,4-dihydro-2H-pyrrole-5-carbonyl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 7-((3,4-dihydro-2H-pyrrol-5-yl)carbonyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-(10S,13S)-2-(3,4-dihydro-2H-pyrrole-5-carbonyl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo(6.6.1.04,15)pentadeca-1,4(15),5,7-tetraen-11-oneRefChem:120608DTXCID8088567SCHEMBL29783273(2S,5S)-7-(3,4-Dihydro-2H-pyrrole-5-carbonyl)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one블라스트마이세틴F3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 7-[(3,4-dihydro-2H-pyrrol-5-yl)carbonyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S,5S)- (9CI)
데이터베이스 식별자
- CAS
156312-08-2
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 97.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 679
물리화학적 성질
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.3 · 14.30±0.10(Predicted)
관련 반응
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