(5S,12S)-12-[(R)-[(3R,4R,5R)-4-{[tert-butyl(dimethyl)silyl]oxy}-3-hydroxy-5-(3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl](hydroxy)methyl]-5-[(1S)-1-hydroxyethyl]-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oic acid

HCID 69752535
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기본 정보

표준 SMILES
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@@H](NC(=O)OCc4ccccc4)[C@H](C)O)C(=O)O)[C@@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1
InChIKey
FQYMVFFUDXEORN-WFRFTRBDSA-N
분자식
C40H57N5O13Si
평균 분자량
844 g/mol

이름 및 식별자

우선 이름
(5S,12S)-12-[(R)-[(3R,4R,5R)-4-{[tert-butyl(dimethyl)silyl]oxy}-3-hydroxy-5-(3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl](hydroxy)methyl]-5-[(1S)-1-hydroxyethyl]-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oic acid
IUPAC
(2S,3R)-3-[(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]-3-hydroxy-2-[3-[[(2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propylamino]propanoic acid

이름 및 동의어

SCHEMBL6359645FQYMVFFUDXEORN-WFRFTRBDSA-N(5S,12S)-12-[(R)-[(3R,4R,5R)-4-{[tert-butyl(dimethyl)silyl]oxy}-3-hydroxy-5-(3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl](hydroxy)methyl]-5-[(1S)-1-hydroxyethyl]-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oic acid

데이터베이스 식별자

PubChem CID
69752535

물성

구조 계산 물성

극성 표면적
246 Ų
수소 결합 공여자 수
7
수소 결합 수용자 수
14
회전 가능 결합 수
21
무거운 원자 수
59

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