기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)CN(C(=O)OC(C)(C)C)c1cccc(CNS(=O)(=O)c2cccnc2)n1- InChIKey
NLMQBMMHAQKIEK-UHFFFAOYSA-N- 분자식
- C22H30N4O6S
- 평균 분자량
- 478.6 g/mol
이름 및 식별자
- 우선 이름
- Tert-butyl (tert-butoxycarbonyl{6-[(pyridin-3-ylsulfonyl)aminomethyl]pyridin-2-yl}amino)acetate
- IUPAC
- tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[(pyridin-3-ylsulfonylamino)methyl]-2-pyridinyl]amino]acetate
이름 및 동의어
TQR0414NLMQBMMHAQKIEK-UHFFFAOYSA-Ntert-butyl (tert-butoxycarbonyl {6-[(pyridin-3-ylsulfonyl)aminomethyl]pyridin-2-yl}-amino)acetatetert-butyl (tert-butoxycarbonyl {6-[(pyridin-3-ylsulfonyl)aminomethyl]pyridin-2-yl}amino)-acetatetert-Butyl (tert-butoxycarbonyl {6-[(pyridin-3-ylsulfonyl)aminomethyl]pyridin-2-yl}amino)acetatetert-Butyl (tert-butoxycarbonyl{6-[(pyridin-3-ylsulfonyl)aminomethyl]-pyridin-2-yl}amino)acetatetert-butyl (tert-butoxycarbonyl{6-[(pyridin-3-ylsulfonyl)aminomethyl]pyridin-2-yl}-amino)acetatetert-butyl (tert-butoxycarbonyl{6-[(pyridin-3-ylsulfonyl)aminomethyl]pyridin-2-yl}amino)acetatetert-butyl 2-((tert-butoxycarbonyl)(6-((pyridine-3-sulfonamido)methyl)pyridin-2-yl)amino)acetatetert-butyl(tert-butoxycarbonyl{6-[(pyridin-3-ylsulfonyl)aminomethyl]pyridin-2-yl}-amino)acetatetert-butyl(tert-butoxycarbonyl{6-[(pyridin-3-ylsulfonyl)aminomethyl]pyridin-2-yl}amino)acetate
데이터베이스 식별자
- PubChem CID
- 86651773
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 769
관련 반응
14건
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