ethyl (5S)-12-[(R)-[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl](hydroxy)methyl]-5-[(1S)-1-hydroxy-2-methylpropyl]-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oate

HCID 86587952
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기본 정보

표준 SMILES
CCOC(=O)C(NCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](O)C(C)C)[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey
OWLBIIGIVKAKFK-SSBLDINZSA-N
분자식
C34H47N5O14
평균 분자량
749.8 g/mol
단동위원소 질량
749.31195119

이름 및 식별자

우선 이름
ethyl (5S)-12-[(R)-[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl](hydroxy)methyl]-5-[(1S)-1-hydroxy-2-methylpropyl]-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oate
IUPAC
ethyl (3R)-3-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-3-hydroxy-2-[3-[[(2S,3S)-3-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propylamino]propanoate

이름 및 동의어

OWLBIIGIVKAKFK-SSBLDINZSA-Nethyl (5S)-12-[(R)-[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl](hydroxy)methyl]-5-[(1S)-1-hydroxy-2-methylpropyl]-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oate

데이터베이스 식별자

PubChem CID
86587952

물성

구조 계산 물성

XLogP
-0.1
극성 표면적
257 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
15
회전 가능 결합 수
22
무거운 원자 수
53

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