기본 정보
- 표준 SMILES
Cc1cc(SC2=C(O)C[C@@](CCc3ccc(O)cc3)(C(C)C)OC2=O)c(C(C)C)c2sc(N)nc12- InChIKey
SFRHBDJLEBJONQ-MHZLTWQESA-N- 분자식
- C27H32N2O4S2
- 평균 분자량
- 512.7 g/mol
- 단동위원소 질량
- 512.18034985
이름 및 식별자
- 우선 이름
- (S)-3-(2-Amino-7-isopropyl-4-methyl-benzothiazol-6-ylsulfanyl)-4-hydroxy-6-[2-(4-hydroxyl-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-one
- IUPAC
- (2S)-5-[(2-amino-4-methyl-7-propan-2-yl-1,3-benzothiazol-6-yl)sulfanyl]-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-6-one
이름 및 동의어
(S)-3-(2-Amino-7-isopropyl-4-methyl-benzothiazol-6-ylsulfanyl)-4-hydroxy-6-[2-(4-hydroxyl-phenyl)-ethyl]-6-isopropyl-5,6-dihydro-pyran-2-oneSCHEMBL6296230SFRHBDJLEBJONQ-MHZLTWQESA-N(2S)-5-[(2-amino-7-isopropyl-4-methyl-1,3-benzothiazol-6-yl)sulfanyl]-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-3H-pyran-6-one(S)-3-(2-Amino-7-isopropyl-4-methyl-benzothiazol-6-ylsulfanyl)-4-hydroxy-6-[2-(4-hydroxyl-phenyl)-ethyl]6-isopropyl-5,6-dihydro-pyran-2-one
데이터베이스 식별자
- PubChem CID
- 54689397
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 798
관련 반응
1건
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