N-[12-(2-Aminoethoxy)-20-(3-amino-1-hydroxypropyl)-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,16-trihydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-10,12-dimethyltetradecanamide
기본 정보
- CAS
159346-64-2- 표준 SMILES
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(OCCN)NC(=O)C2CC(O)CN2C(=O)C(C(O)CCN)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O- InChIKey
UGKKYUOAOJQKKH-UHFFFAOYSA-N- 분자식
- C52H87N9O16
- 평균 분자량
- 1,094.3 g/mol
- 단동위원소 질량
- 1,093.62707772
이름 및 식별자
- 우선 이름
- N-[12-(2-Aminoethoxy)-20-(3-amino-1-hydroxypropyl)-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,16-trihydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-10,12-dimethyltetradecanamide
- IUPAC
- N-[21-(2-aminoethoxy)-3-(3-amino-1-hydroxypropyl)-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,26-trihydroxy-15-(1-hydroxyethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
이름 및 동의어
DTXSID101356950159346-64-2N-[12-(2-Aminoethoxy)-20-(3-amino-1-hydroxypropyl)-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,16-trihydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-10,12-dimethyltetradecanamide
데이터베이스 식별자
- CAS
159346-64-2- PubChem CID
- 78186792
- DTXSID
DTXSID101356950
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 409 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 77
- 형식 전하
- 0
- 복잡도
- 1,900
관련 반응
0건
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