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기본 정보
- CAS
114640-52-7- 표준 SMILES
COC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)c1ccc(Br)cc1- InChIKey
CTXMDPDBGGRIKW-SANMLTNESA-N- 분자식
- C42H67BrN8O10
- 평균 분자량
- 923.948 g/mol
- 단동위원소 질량
- 922.41635244
이름 및 식별자
- 우선 이름
- 1-(4-Bromophenyl)-4,7,10,13,16,19-hexahydroxy-N-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3,3,6,6,9,9,12,12,15,15,21,21-dodecamethyl-18-(2-methylpropyl)-1-oxo-2,5,8,11,14,17,20-heptaazadocosa-4,7,10,13,16,19-hexaen-22-imidic acid
- IUPAC
- (18S)-1-(4-Bromophenyl)-4,7,10,13,16,19-hexahydroxy-N-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3,3,6,6,9,9,12,12,15,15,21,21-dodecamethyl-18-(2-methylpropyl)-1-oxo-2,5,8,11,14,17,20-heptaazadocosa-4,7,10,13,16,19-hexaen-22-imidic acid
- 현지명
- 4-브로모벤조일-(알파-아미노이소부티르산)(5)-류실-(알파-아미노이소부티르산)(2)-메톡시
- 영어명
- 4-bromobenzoyl-(alpha-aminoisobutyric acid)(5)-leucyl-(alpha-aminoisobutyric acid)(2)-methoxy
- 분자식
- C42H67BrN8O10
- 분자량
- 923.93
이름 및 동의어
4-브로모벤조일-(알파-아미노이소부티르산)(5)-류실-(알파-아미노이소부티르산)(2)-메톡시4-bromobenzoyl-(alpha-aminoisobutyric acid)(5)-leucyl-(alpha-aminoisobutyric acid)(2)-methoxyAlanine, N-(4-bromobenzoyl)-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-L-leucyl-2-methylalanyl-2-methyl-, methyl ester (9CI)
데이터베이스 식별자
- CAS
114640-52-7- PubChem CID
- 195100
- DTXSID
DTXSID80921441
물성
물리화학적 성질
- 끓는 점
- 1135 · 1135.0±65.0 °C(Predicted)
- 밀도
- 1.226 · 1.226±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.48 · 12.48±0.46(Predicted)
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