기본 정보
- CAS
85407-04-1- 표준 SMILES
CCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3CC)cn2CC)cc1C(=O)NCCC(=N)N- InChIKey
GGMQCKNGZWEJLW-UHFFFAOYSA-N- 분자식
- C25H33N9O4
- 평균 분자량
- 523.6 g/mol
- 단동위원소 질량
- 523.26555057
이름 및 식별자
- 우선 이름
- 1,2,3-Trihomodistamycin A
- IUPAC
- N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-ethylpyrrol-3-yl]carbamoyl]-1-ethylpyrrol-3-yl]-1-ethyl-4-formamidopyrrole-2-carboxamide
이름 및 동의어
1,2,3-Trihomodistamycin A85407-04-1DTXSID802346091H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-ethyl-1H-pyrrol-3-yl)-1-ethyl-4-(((1-ethyl-4-(formylamino)-1H-pyrrol-2-yl)carbonyl)amino)-N-(5-(((3-Amino-3-iminopropyl)amino)carbonyl)-1-ethyl-1H-pyrrol-3-yl)-1-ethyl-4-(((1-ethyl-4-(formylamino)-1H-pyrrol-2-yl)carbonyl)amino)-1H-pyrrole-2-carboxamideN-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-ethylpyrrol-3-yl]carbamoyl]-1-ethylpyrrol-3-yl]-1-ethyl-4-formamidopyrrole-2-carboxamideN-(5-((5-((3-amino-3-iminopropyl)carbamoyl)-1-ethylpyrrol-3-yl)carbamoyl)-1-ethylpyrrol-3-yl)-1-ethyl-4-formamidopyrrole-2-carboxamideRefChem:71428DTXCID60157100CHEMBL1185694N-(3-Amino-3-iminopropyl)-1-ethyl-4-[1-ethyl-4-(1-ethyl-4-formamido-1H-pyrrole-2-carboxamido)-1H-pyrrole-2-carboxamido]-1H-pyrrole-2-carboxamide
데이터베이스 식별자
- CAS
85407-04-1- PubChem CID
- 174458
- DTXSID
DTXSID80234609- ChEMBL
CHEMBL1185694
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 181 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 872
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