디스텔(2+)
Distel(2+)
기본 정보
- CAS
159506-80-6- 표준 SMILES
COc1ccc2[nH]c3c(C)c4ccnc(NCCCNC(=O)c5cc(NC(=O)c6cc(NC(=O)c7cc(NC(=O)CCN)cn7C)cn6C)cn5C)c4c(C)c3c2c1- InChIKey
ZRLWJXCCXGOOJW-UHFFFAOYSA-N- 분자식
- C42H47N11O5
- 평균 분자량
- 785.9 g/mol
- 단동위원소 질량
- 785.37616364
개요
a biscationic distamycin-ellipticine hybrid; differs from distel(1+) only in the nature of the side chain attached to the distamycin moiety; structure given in first source
이름 및 식별자
- 우선 이름
- Distel(2+)
- IUPAC
- 4-(3-aminopropanoylamino)-N-[5-[[5-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
- 현지명
- 디스텔(2+)
- 영어명
- distel(2+)
- 분자식
- C42H47N11O5
- 분자량
- 785.89
이름 및 동의어
Distel(2+)159506-80-6DTXSID00166670RefChem:135134DTXCID80891614-(((4-((3-Amino-1-oxopropyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((3-((9-methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazol-1-yl)amino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide1H-Pyrrole-2-carboxamide, 4-(((4-((3-amino-1-oxopropyl)amino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((3-((9-methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazol-1-yl)amino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-(beta-Alanylamino)-N-(5-{[5-({3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide디스텔(2+)1H-Pyrrole-2-carboxamide, 4-[[[4-[(3-amino-1-oxopropyl)amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 207 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,460
물리화학적 성질
- 끓는 점
- 1007.2 · 1007.2±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.35 · 14.35±0.70(Predicted)
관련 반응
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