기본 정보
- CAS
4939-06-4- 표준 SMILES
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ncccc4C(=O)O)cn3C)cn2C)cn1C- InChIKey
GCUQMTSIVXABMV-UHFFFAOYSA-N- 분자식
- C30H35N9O6
- 평균 분자량
- 617.7 g/mol
- 단동위원소 질량
- 617.27102987
이름 및 식별자
- 우선 이름
- 2-[[5-[[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyridine-3-carboxylic acid
- IUPAC
- 2-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]pyridine-3-carboxylic acid
이름 및 동의어
NSC6943254939-06-4DTXSID50327850NSC-6943252-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyridine-3-carboxylic acid2-{[5-({5-[(5-{[3-(Dimethylamino)propyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}pyridine-3-carboxylic acidN-{1-Methyl-2-[1-methyl-2-(1-methyl-2-carboxamido(3-dimethylaminopropyl)-4-pyrrole)-carboxamido-4-pyrrole]carboxamido-4-pyrrolyl}-3-carboxy pyridine-2-carboxamide
데이터베이스 식별자
- CAS
4939-06-4- PubChem CID
- 393047
- DTXSID
DTXSID50327850
물성
구조 계산 물성
- XLogP
- -2.2
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,090
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