기본 정보
- 표준 SMILES
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1- InChIKey
DIGOMLLNDITQBR-GQOGGNGUSA-N- 분자식
- C55H87N5O14Si2
- 평균 분자량
- 1,098.5 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl (5S,12S)-12-[(R)-[(3R,4R,5R)-3,4-bis{[tert-butyl(dimethyl)silyl]oxy}-5-(3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl](hydroxy)methyl]-5-[3-(tert-butoxy)-3-oxopropyl]-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oate
- IUPAC
- tert-butyl (4S)-5-[3-[[(1R,2S)-1-[(3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]amino]propylamino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
이름 및 동의어
DIGOMLLNDITQBR-GQOGGNGUSA-Ntert-butyl (5S,12S)-12-[(R)-[(3R,4R,5R)-3,4-bis{[tert-butyl(dimethyl)silyl]oxy}-5-(3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl](hydroxy)methyl]-5-[3-(tert-butoxy)-3-oxopropyl]-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oate
데이터베이스 식별자
- PubChem CID
- 86587945
물성
구조 계산 물성
- 극성 표면적
- 230 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 30
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 1,980
관련 반응
2건
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