4-Nitrobenzyl (1R, 5S,6S)-2-[2-(1-perhydroazepinylcarbonyl)phenylthio]-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate

HCID 10532689
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기본 정보

표준 SMILES
C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Sc3ccccc3C(=O)N3CCCCCC3)[C@H](C)[C@H]12
InChIKey
MXBWTHMOGCWDSJ-XCQPVXNCSA-N
분자식
C36H47N3O7SSi
평균 분자량
693.9 g/mol

이름 및 식별자

우선 이름
4-Nitrobenzyl (1R, 5S,6S)-2-[2-(1-perhydroazepinylcarbonyl)phenylthio]-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate
IUPAC
(4-nitrophenyl)methyl (4R,5S,6S)-3-[2-(azepane-1-carbonyl)phenyl]sulfanyl-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

이름 및 동의어

MXBWTHMOGCWDSJ-XCQPVXNCSA-N4-Nitrobenzyl (1R, 5S,6S)-2-[2-(1-perhydroazepinylcarbonyl)phenylthio]-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate4-Nitrobenzyl (1R,5S,6S)-2-[2-(1-perhydroazepinylcarbonyl)phenylthio]-1-methyl-6-[1(R)-t-butyldimethylsilyloxyethyl]-1-carbapen-2-em-3-carboxylate

데이터베이스 식별자

PubChem CID
10532689

물성

구조 계산 물성

극성 표면적
147 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
11
무거운 원자 수
48

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