(9S,12R,15R,18R,26R,29R,33R,38aS)-6,9-Di(butan-2-yl)-33-heptyl-18,26,29-tris(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)hexacosahydrodipyrrolo[2,1-f:2',1'-x][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontine-5,8,11,14,17,20,25,28,31,35,38(32H)-undecone
기본 정보
- 표준 SMILES
CCCCCCC[C@@H]1CC(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N2CCCC2C(=O)N[C@H](CO)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)NC(C(C)CC)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1- InChIKey
YNLIJTVZSFUHKP-KTOYLDSTSA-N- 분자식
- C58H93N11O15
- 평균 분자량
- 1,184.4 g/mol
- 단동위원소 질량
- 1,183.6852613
이름 및 식별자
- 우선 이름
- (9S,12R,15R,18R,26R,29R,33R,38aS)-6,9-Di(butan-2-yl)-33-heptyl-18,26,29-tris(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)hexacosahydrodipyrrolo[2,1-f:2',1'-x][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontine-5,8,11,14,17,20,25,28,31,35,38(32H)-undecone
- IUPAC
- (3R,6R,10R,16S,25S,28R,31R,34R)-22-butan-2-yl-25-[(2R)-butan-2-yl]-10-heptyl-3,6,34-tris(hydroxymethyl)-31-[(4-hydroxyphenyl)methyl]-28-(2-methylpropyl)-1,4,7,11,14,20,23,26,29,32,35-undecazatricyclo[35.3.0.016,20]tetracontane-2,5,8,12,15,21,24,27,30,33,36-undecone
이름 및 동의어
(9S,12R,15R,18R,26R,29R,33R,38aS)-6,9-Di(butan-2-yl)-33-heptyl-18,26,29-tris(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)hexacosahydrodipyrrolo[2,1-f:2',1'-x][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontine-5,8,11,14,17,20,25,28,31,35,38(32H)-undecone
데이터베이스 식별자
- PubChem CID
- 155802443
- DTXSID
DTXSID801333898
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 383 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 84
- 형식 전하
- 0
- 복잡도
- 2,230
관련 반응
0건
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