기본 정보
- CAS
1005244-98-3- 표준 SMILES
CCOC(=O)c1c(NC(=O)C2C3CCC(O3)C2C(=O)O)sc2c1CCCCCCCCCCC2- InChIKey
NVYIPSZLOYKJNT-UHFFFAOYSA-N- 분자식
- C26H37NO6S
- 평균 분자량
- 491.6 g/mol
- 단동위원소 질량
- 491.23415907
이름 및 식별자
- 우선 이름
- 3-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
- IUPAC
- 3-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
- 영어명
- 3-({[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thien-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
- 분자식
- C26H37NO6S
- 분자량
- 491.64008
이름 및 동의어
1005244-98-33-((3-(Ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl)carbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid3-({[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thien-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid3-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acidOprea1_290174AK-968/41924183STK449463AKOS003294769AKOS022150959ST508322673-[(16-ethoxycarbonyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-15-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid3-{N-[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13,14-undecahydrocyclotrideca[1, 2-d]thiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
데이터베이스 식별자
- CAS
1005244-98-3- PubChem CID
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 732
화학 및 산업
공급사1 곳
SPECS[email protected]
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