기본 정보
- CAS
122224-84-4- 표준 SMILES
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc2ccccc2)OC1=O- InChIKey
JZRFAIHFMIECQR-AJISXOSTSA-N- 분자식
- C38H58N6O9
- 평균 분자량
- 742.9 g/mol
- 단동위원소 질량
- 742.42652745
개요
structure given in first source
이름 및 식별자
- 우선 이름
- A 65317
- IUPAC
- (2R)-2-benzyl-N-[(2S)-1-[[(1R,2S)-3-cyclohexyl-1-[(5S)-3-ethyl-2-oxo-1,3-oxazolidin-5-yl]-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-(2-methoxyethoxymethoxy)ethyl]-N'-methylbutanediamide
- 영어명
- A 65317
- 분자식
- C38H58N6O9
- 분자량
- 742.909
이름 및 동의어
A-65317122224-84-44DEV5X6A19A 65317RefChem:108318CHEMBL58263UNII-4DEV5X6A19orb1701373SCHEMBL294066662-Benzyl-3-((2-methoxyethoxymethoxyethyl)methylaminocarbonyl)propionyl-L-histidine-3-ethyl-5-(1'-hydroxy-2'-amino-3'-cyclohexylpropyl)oxazolidin-2-one amideBDBM50014084AKOS040747661
이름 더 보기
(2R)-N1-[(1S)-2-[[(1S,2R)-1-(Cyclohexylmethyl)-2-[(5S)-3-ethyl-2-oxo-5-oxazolidinyl]-2-hydroxyethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxoethyl]-N4-[2-[(2-methoxyethoxy)methoxy]ethyl]-N4-methyl-2-(phenylmethyl)butanediamide (ACI)
(2R)-2-Benzyl-N-[(2S)-1-[[(1R,2S)-3-cyclohexyl-1-[(5S)-3-ethyl-2-oxo-1,3-oxazolidin-5-yl]-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N'-[2-(2-methoxyethoxymethoxy)ethyl]-N'-methylbutanediamideT26431Q27896329(R)-2-Benzyl-N*1*-[(S)-1-[(1S,2R)-1-cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-N*4*-[2-(2-methoxy-ethoxymethoxy)-ethyl]-N*4*-methyl-succinamide1H-Imidazole-4-propanamide, N-(1-(cyclohexylmethyl)-2-(3-ethyl-2-oxo-5-oxazolidinyl)-2-hydroxyethyl)-alpha-((5-methyl-1,4-dioxo-2-(phenylmethyl)-8,10,13-trioxa-5-azatetradec-1-yl)amino)-, (5S-(5R*(1R*(R*(S*)),2S*)))-BUTANEDIAMIDE, N1-((1S)-2-(((1S,2R)-1-(CYCLOHEXYLMETHYL)-2-((5S)-3-ETHYL-2-OXO-5-OXAZOLIDINYL)-2-HYDROXYETHYL)AMINO)-1-(1H-IMIDAZOL-5-YLMETHYL)-2-OXOETHYL)-N4-(2-((2-METHOXYETHOXY)METHOXY)ETHYL)-N4-METHYL-2-(PHENYLMETHYL)-, (2R)-BUTANEDIAMIDE, N1-(2-((1-(CYCLOHEXYLMETHYL)-2-(3-ETHYL-2-OXO-5-OXAZOLIDINYL)-2-HYDROXYETHYL)AMINO)-1-(1H-IMIDAZOL-4-YLMETHYL)-2-OXOETHYL)-N4-(2-((2-METHOXYETHOXY)METHOXY)ETHYL)-N4-METHYL-2-(PHENYLMETHYL)-, (5S-(5R*(1R*(R*(S*)),2S*)))-
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,120
화학 및 산업
공급사3 곳
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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