기본 정보
- CAS
1118767-17-1- 표준 SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C- InChIKey
ZYDUOBLQZWSASS-KDXMTYKHSA-N- 분자식
- C49H86N4O15
- 평균 분자량
- 971.2 g/mol
- 단동위원소 질량
- 970.60896805
이름 및 식별자
- 우선 이름
- C20-Otbu-glu(otbu)-aeea-aeea-osu
- IUPAC
- tert-butyl 20-[[(2S)-5-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-20-oxoicosanoate
- 영어명
- tBuO-C20-Glu(AEEA-AEEA-OSu)-OtBu
- 분자식
- C49H86N4O15
- 분자량
- 971.23
이름 및 동의어
C20-OTBU-GLU(OTBU)-AEEA-AEEA-OSU1118767-17-1tBuO-C20-Glu(AEEA-AEEA-OSu)-OtBuSCHEMBL1895784ZYDUOBLQZWSASS-KDXMTYKHSA-NMFCD35459982C20-OtBu-L-Glu(AEEA-AEEA-NHS)-OtBuG8743719((S)-1-tert-Butoxycarbonyl-3-{2-[2-({2-[2-(2,5-dioxo-pyrrolidin-1-yloxycarbonylmethoxy)- ethoxy]ethylcarbamoyl}methoxy)ethoxy]ethylcarbamoyl}propylcarbamoyl)nonadecanoic acid tert-butyl ester19((S)-1-tert-Butoxycarbonyl-3-{2-[2-({2-[2-(2,5-dioxo-pyrrolidin-1-yloxycarbonylmethoxy)-ethoxy]ethylcarbamoyl}methoxy)ethoxy]ethylcarbamoyl}propylcarbamoyl)nonadecanoic acid tert-butyl ester19-((s)-1-tert-butoxycarbonyl-3-{2-[2-({2-[2-(2,5-dioxo-pyrrolidin-1-yloxycarbonyl-methoxy)-ethoxy]-ethylcarbamoyl}-methoxy)-ethoxy]-ethylcarbamoyl}-propylcarbamoyl)-nonadecanoic acid tert-butyl ester19-((S)-1-tert-Butoxycarbonyl-3-{2-[2-({2-[2-(2,5-dioxo-pyrrolidin-1-yloxycarbonylmethoxy)-ethoxy]-ethylcarbamoyl}-methoxy)-ethoxy]-ethylcarbamoyl}-propylcarbamoyl)-nonadecanoic acid tert-butyl ester
이름 더 보기
tBuO-ICO-Glu(AEEA-AEEA-OSu)-OtButBuO-C20-γ-Glu(AEEA-AEEA-OSu)-OtButBuO-C20-y-Glu(AEEA-AEEA-OSu)-OtBu43-(1,1-Dimethylethyl) 1-(2,5-dioxo-1-pyrrolidinyl) (22S)-22-[(1,1-dimethylethoxy)carbonyl]-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazatritetracontanedioate
19-((S)-1-tert-butoxycarbonyl-3-{2-[2-({2-[2-(2,5-dioxo-pyrrolidin-1-yloxycarbonylmethoxy)ethoxy]ethylcarbamoyl}methoxy)ethoxy]ethylcarbamoyl}propyl-carbamoyl)nonadecanoic acid tert-butyl ester19-((S)-1-tert-butoxycarbonyl-3-{2-[2-({2-[2-(2,5-dioxo-pyrrolidin-1-yloxycarbonylmethoxy)ethoxy]ethylcarbamoyl}methoxy)ethoxy]ethylcarbamoyl}propylcarbamoyl)nonadecanoic acid tert-butyl ester19-((S)-1-tert-Butoxycarbonyl-3-{2-[2-({2-[2-(2,5-dioxopyrrolidin-1-yloxycarbonylmethoxy)ethoxy]ethylcarbamoyl}methoxy)ethoxy]ethylcarbamoyl}propylcarbamoyl)nonadecanoic acid tert-butyl ester21,41-Di-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) (S)-9,18,23-trioxo-2,5,11,14-tetraoxa-8,17,22-triazahentetracontane-1,21,41-tricarboxylate
데이터베이스 식별자
- CAS
1118767-17-1- PubChem CID
- 86644531
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 241 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 46
- 무거운 원자 수
- 68
- 형식 전하
- 0
- 복잡도
- 1,460
물리화학적 성질
- 밀도
- 1.14 · 1.14±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- 산도 계수 (pKa)
- 14.18 · 14.18±0.46(Predicted)
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