(1aR,3aR,5S,7aR,15aS,Z)-5-(2-(4-ethynylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-9-methyl-3,8-dioxo-1a,2,3,3a,4,5,6,7,7a,8,9,10,11,12,13,15a-hexadecahydro-1H-benzo[c]cyclopropa[g][1,6]diazacyclotetradecine-1a-carboxylic acid
기본 정보
- 표준 SMILES
C#Cc1csc(-c2cc(O[C@H]3CC[C@H]4C(=O)N(C)CCCC/C=C\[C@@H]5C[C@@]5(C(=O)O)NC(=O)[C@@H]4C3)c3ccc(OC)c(C)c3n2)n1- InChIKey
QIDRQPVEVMHDDD-CZMHWVGSSA-N- 분자식
- C35H38N4O6S
- 평균 분자량
- 642.8 g/mol
- 단동위원소 질량
- 642.25120612
이름 및 식별자
- 우선 이름
- (1aR,3aR,5S,7aR,15aS,Z)-5-(2-(4-ethynylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-9-methyl-3,8-dioxo-1a,2,3,3a,4,5,6,7,7a,8,9,10,11,12,13,15a-hexadecahydro-1H-benzo[c]cyclopropa[g][1,6]diazacyclotetradecine-1a-carboxylic acid
- IUPAC
- (1R,4R,6S,7Z,15R,18S)-18-[2-(4-ethynyl-1,3-thiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.4.0.04,6]nonadec-7-ene-4-carboxylic acid
이름 및 동의어
QIDRQPVEVMHDDD-CZMHWVGSSA-N(1aR,3aR,5S,7aR,15aS,Z)-5-(2-(4-ethynylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-9-methyl-3,8-dioxo-1a,2,3,3a,4,5,6,7,7a,8,9,10,11,12,13,15a-hexadecahydro-1H-benzo[c]cyclopropa[g][1,6]diazacyclotetradecine-1a-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 88050653
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,240
관련 반응
2건
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