CAS 137391-68-5 (R)-4-Nitrobenzyl 2-diazo-4-((2R,3S)-3-((R)-1-hydroxyethyl)-4-oxoazetidin-2-yl)-3-oxopentanoate (HCID 57009450)

기본 정보

CAS: 137391-68-5
표준 SMILES: C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)C(=[N+]=[N-])C(=O)OCc1ccc([N+](=O)[O-])cc1
InChIKey: FDXUXRZSNNSUGD-NRMKKVEVSA-N
분자식: C17H18N4O7
평균 분자량: 390.3 g/mol

이름 및 식별자

우선 이름: (R)-4-Nitrobenzyl 2-diazo-4-((2R,3S)-3-((R)-1-hydroxyethyl)-4-oxoazetidin-2-yl)-3-oxopentanoate
IUPAC: (4-nitrophenyl)methyl (4R)-2-diazo-4-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]-3-oxopentanoate
영어명: (3S,4R)-3-[(1R)-1-Hydroxyethyl]-4-[(1R)-1-methyl-3-diazo-3-(p-nitrobenzyloxycarbonyl)-2-oxopropyl]azetidin-2-one
분자식: C17H18N4O7
분자량: 390.35

이름 및 동의어

137391-68-590822-24-5(R)-4-Nitrobenzyl 2-diazo-4-((2R,3S)-3-((R)-1-hydroxyethyl)-4-oxoazetidin-2-yl)-3-oxopentanoateMeropenem Impurity 13(4-NITROPHENYL)METHYL (4R)-2-DIAZO-4-[(2R,3S)-3-[(1R)-1-HYDROXYETHYL]-4-OXOAZETIDIN-2-YL]-3-OXOPENTANOATE4-Nitrobenzyl (R)-2-diazo-4-((2R,3S)-3-((R)-1-hydroxyethyl)-4-oxoazetidin-2-yl)-3-oxopentanoate(3S,4R)-3-[(1R)-1-Hydroxyethyl]-4-[(1R)-1-methyl-3-diazo-3-(p-nitrobenzyloxycarbonyl)-2-oxopropyl]az4-Nitrobenzyl (R)-2-Diazo-4-[(2R,3S)-3-[(R)-1-hydroxyethyl]-4-oxo-2-azetidinyl]-3-oxopentanoate4-Nitrobenzyl(R)-2-diazo-4-((2R,3S)-3-((R)-1-hydroxyethyl)-4-oxoazetidin-2-yl)-3-oxopentanoate-2-14CC17H18N4O7Etapenem lmpurity 40GEJ8U54SJZ

이름 더 보기

(A9)F9(A9)Mouse S100A8A9 elisa kitA9 Research AssayMeropenem impurity 5-14cMeropenem intermediate F9MeropeneM InterMediates(F-9)Intermediate F9 of Meropenem

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 141 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 8
무거운 원자 수: 28
형식 전하: 0
복잡도: 705

물리화학적 성질

저장 조건: -196 °C · -196°C
생물학적 소스: mouse adipose tissue
InChI: InChI=1/C17H18N4O7/c1-8(13-12(9(2)22)16(24)19-13)15(23)14(20-18)17(25)28-7-10-3-5-11(6-4-10)21(26)27/h3-6,8-9,12-13,22H,7H2,1-2H3,(H,19,24)/t8-,9-,12-,13-/s3
InChIKey: FDXUXRZSNNSUGD-YFEBQZRFNA-N
SMILES: N1C([C@]([H])([C@@H](C)O)[C@@]1([H])[C@H](C(C(C(OCC1C=CC([N+](=O)[O-])=CC=1)=O)=[N+]=[N-])=O)C)=O |&1:2,4,7,9,r|