기본 정보
- 표준 SMILES
CC(=O)SCCCN(C)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)cn2C)cn1C- InChIKey
CKGTVZYCTVHPHW-UHFFFAOYSA-N- 분자식
- C34H44N10O7S
- 평균 분자량
- 736.8 g/mol
- 단동위원소 질량
- 736.31151495
이름 및 식별자
- 우선 이름
- S-3-(4-(4-(4-(4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamido)-N, 1-dimethyl-1H-pyrrole-2-carboxamido)propyl ethanethioate
- IUPAC
- S-[3-[methyl-[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propyl] ethanethioate
이름 및 동의어
SCHEMBL13224106CKGTVZYCTVHPHW-UHFFFAOYSA-NS-3-(4-(4-(4-(4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamido)-N, 1-dimethyl-1H-pyrrole-2-carboxamido)propyl ethanethioates-3-(4-(4-(4-(4-(tert-butoxycarbonylamino)-1-methyl-1h-pyrrole-2-carboxamido)-1-methyl-1h-imidazole-2-carboxamido)-1-methyl-1h-pyrrole-2-carboxamido)-n,1-dimethyl-1h-pyrrole-2-carboxamido)propyl ethanethioate
데이터베이스 식별자
- PubChem CID
- 59440243
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 221 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,330
관련 반응
4건
연결된 노트
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