기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN(CC(=O)OC(C)(C)C)Cc1nccn1CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
FJGWDTAQXRNMIV-UWXQCODUSA-N- 분자식
- C51H90N6O12
- 평균 분자량
- 979.3 g/mol
이름 및 식별자
- 우선 이름
- (19S,23S)-tetra-tert-butyl 2-((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)-13,21-dioxo-2,14,20,22-tetraazapentacosane-1,19,23,25-tetracarboxylate
- IUPAC
- ditert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-6-[11-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]undecanoylamino]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
이름 및 동의어
SCHEMBL2495998FJGWDTAQXRNMIV-UWXQCODUSA-N(19 S,23S)-tetra-tert-butyl 2-((1-(2-tert-butoxy -2-oxoethyl)-1H-imidazol-2-yl)methyl)-13,21-dioxo-2,14,20,22-tetraazapentacosane-1,19,23,25-tetracarboxylate(19 S,23S)-tetra-tert-butyl 2-((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)-13,21-dioxo-2,14,20,22-tetraazapentacosane-1,19,23,25-tetracarboxylate(19S,23S)-tetra-tert-butyl 2-((1-(2-tert-butoxy-2-oxo ethyl)-1H-imidazol-2-yl)methyl)-13,21-dioxo-2,14,20,22-tetraazapentacosane-1,19,23,25-tetracarboxylate(19S,23S)-tetra-tert-butyl 2-((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)-13,21-dioxo-2,14,20,22-tetraazapentacosane-1,19,23,25-tetracarboxylate
데이터베이스 식별자
- PubChem CID
- 59404265
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 223 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 39
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 1,610
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