5-[4-(4-(2-(2-t-Butoxycarbonylaminopropanamido}2-methoxycarbonylethyl)phenoxy)benzyl]thiazolidin-2,4-dione
기본 정보
- 표준 SMILES
COC(=O)C(Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1)NC(=O)C(C)NC(=O)OC(C)(C)C- InChIKey
VQXAJSRQFBSEIC-UHFFFAOYSA-N- 분자식
- C28H33N3O8S
- 평균 분자량
- 571.6 g/mol
이름 및 식별자
- 우선 이름
- 5-[4-(4-(2-(2-t-Butoxycarbonylaminopropanamido}2-methoxycarbonylethyl)phenoxy)benzyl]thiazolidin-2,4-dione
- IUPAC
- methyl 3-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
이름 및 동의어
SCHEMBL3966005VQXAJSRQFBSEIC-UHFFFAOYSA-N5-[4-(4-(2-(2-t-Butoxycarbonylaminopropanamido)-2-methoxy carbonylethyl)phenoxy)benzyl]thiazolidin-2,4-dione5-[4-(4-(2-(2-t-butoxycarbonylaminopropanamido)-2-methoxycarbonyl ethyl)phenoxy)benzyl]thiazolidin-2,4-dione5-[4-(4-(2-(2-t-Butoxycarbonylaminopropanamido)-2-methoxycarbonylethyl)phenoxy)benzyl]thiazolidin-2,4-dione5-[4-(4-(2-(2-t-butoxycarbonylaminopropanamido}2-methoxycarbonyl ethyl)phenoxy)benzyl]thiazolidin-2,4-dione5-[4-(4-(2-(2-t-butoxycarbonylaminopropanamido}2-methoxycarbonylethyl)phenoxy)benzyl]thiazolidin-2,4-dione
데이터베이스 식별자
- PubChem CID
- 21989670
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 923
관련 반응
6건
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