기본 정보
- CAS
700796-84-5- 표준 SMILES
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CN=C(N)N)cn3C)cn2C)cc1C(=O)NCCC(=N)N- InChIKey
NKMHMNWNJGBNJC-UHFFFAOYSA-N- 분자식
- C24H32N12O4
- 평균 분자량
- 552.6 g/mol
- 단동위원소 질량
- 552.26694755
이름 및 식별자
- 우선 이름
- LZ7D46Q8LX
- IUPAC
- N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide
이름 및 동의어
LZ7D46Q8LXCHEMBL1196781SCHEMBL142677621H-Pyrrole-2-carboxamide, 4-[[[4-[[[(aminoiminomethyl)amino]acetyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-Pyrrole-2-carboxamide, 4-[[[4-[[2-[(aminoiminomethyl)amino]acetyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-4-[[[4-[[2-[(Aminoiminomethyl)amino]acetyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-pyrrole-2-carboxamide700796-84-5N-{5-[(2-carbamimidoylethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-(4-{2-[(diaminomethylidene)amino]acetamido}-1-methyl-1H-pyrrole-2-amido)-1-methyl-1H-pyrrole-2-carboxamide
데이터베이스 식별자
- CAS
700796-84-5- PubChem CID
- 430474
- ChEMBL
CHEMBL1196781- UNII
- LZ7D46Q8LX
물성
구조 계산 물성
- XLogP
- -3.1
- 극성 표면적
- 245 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,000
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