기본 정보
- CAS
147664-18-4- 표준 SMILES
CCCCCCCCC[C@H]1CC2CCC3C(C(=O)OCCCCCCCCCC4N=C(N)N5CCCC5=C4C(=O)OCCCCN=C(N)N)[C@@H](C)N=C(N1)N23- InChIKey
WZGMBJKFYVONHF-PSFKQYMZSA-N- 분자식
- C42H73N9O4
- 평균 분자량
- 768.1 g/mol
- 단동위원소 질량
- 767.57855184
개요
See also: Batzelladine A (annotation moved to).
이름 및 식별자
- 우선 이름
- 1H-5,6,8b-Triazaacenaphthylene-3-carboxylic acid, 2,2a,3,4,5,7,8,8a-octahydro-4-methyl-7-nonyl-, 9-(1-amino-4-((4-((aminoiminomethyl)amino)butoxy)carbonyl)-3,5,6,7-tetrahydropyrrolo(1,2-c)pyrimidin-3-yl)nonyl ester, (2aalpha,3beta,4beta,7alpha,8abeta)-
- IUPAC
- 9-[1-amino-4-[4-(diaminomethylideneamino)butoxycarbonyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl]nonyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
이름 및 동의어
147664-18-41H-5,6,8b-Triazaacenaphthylene-3-carboxylic acid, 2,2a,3,4,5,7,8,8a-octahydro-4-methyl-7-nonyl-, 9-(1-amino-4-((4-((aminoiminomethyl)amino)butoxy)carbonyl)-3,5,6,7- tetrahydropyrrolo(1,2-c)pyrimidin-3-yl)nonyl ester, (2aalpha,3beta,4beta,7alpha,8abeta)-DTXSID609331839-(4-{[4-(Carbamimidoylamino)butoxy]carbonyl}-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidin-3-yl)nonyl (4R,7S)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate9-[4-(4-guanidinobutoxycarbonyl)-1-imino-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-3-yl]nonyl methyl(nonyl)[?]carboxylate9-{4-[(4-Carbamimidamidobutoxy)carbonyl]-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidin-3-yl}nonyl 4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate
데이터베이스 식별자
- CAS
147664-18-4- PubChem CID
- 460273
- DTXSID
DTXSID60933183
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 186 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,360
관련 반응
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