기본 정보
- CAS
7177-45-9- 표준 SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CN[C@@H](C)[C@H](O)c1ccccc1- InChIKey
ATTKGDVWJGVOJH-TWKDTOHUSA-N- 분자식
- C26H33N3O5S
- 평균 분자량
- 499.6 g/mol
- 단동위원소 질량
- 499.21409234
이름 및 식별자
- 우선 이름
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with (alphaR)-alpha-((1S)-1-(methylamino)ethyl)benzenemethanol (1:1)
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
이름 및 동의어
7177-45-9RefChem:10716244-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with (alphaR)-alpha-((1S)-1-(methylamino)ethyl)benzenemethanol (1:1)Penicillin G ephedrine saltTersavinEphedrine penicillinEINECS 230-538-3EPHEDRINE PENICILLIN GC2CU7SYA7YDTXSID10992427Ephedrine, compd. with penicillin G4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-, compd with ephedrine (1:1)
이름 더 보기
(2S,5R,6R)-6-[(1-Hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol (1/1)4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, compd. with ephedrine4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, compd. with (alphaR)-alpha-[(1S)-1-(methylamino)ethyl]benzenemethanol4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2alpha,5alpha,6beta)]-, compd. with [R-(R*,S*)]-alpha-[1-(methylamino)ethyl]benzenemethanol6-[(1-Hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)Benzenemethanol, alpha-[(1S)-1-(methylamino)ethyl]-, (alphaR)-, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (salt)Benzenemethanol, alpha-[1-(methylamino)ethyl]-, [R-(R*,S*)]-, [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (salt)
물성
구조 계산 물성
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 651
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