기본 정보
- CAS
50913-82-1- 표준 SMILES
CS(=O)(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
QUCFVNGGGFLOES-ACQYNFKHSA-N- 분자식
- C40H55N9O11S
- 평균 분자량
- 870 g/mol
- 단동위원소 질량
- 869.37417458
개요
ACTH 4-9 (H-Met(O)-Glu-His-Phe-D-Lys-Phe-OH) analog in which 4-Met position of fragment substituted by 4-Met sulfoxide, 8-Arg replaced by 8-D-Lys & 9-Trp replaced by 9-Phe; RN given refers to (D-Lys)-isomer
이름 및 식별자
- 우선 이름
- Org 2766
- IUPAC
- (4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]-5-oxopentanoic acid
- 현지명
- 감마-(메틸술포닐)-L-알파-아미노부티릴-L-알파-글루타밀-L-히스티딜-3-페닐-L-알라닐-D-리실-L-알라닌
- 영어명
- gamma-(methylsulphonyl)-L-alpha-aminobutyryl-L-alpha-glutamyl-L-histidyl-3-phenyl-L-alanyl-D-lysyl-L-alanine
- 분자식
- C40H55N9O11S
- 분자량
- 869.99
이름 및 동의어
Org-276650913-82-1OP1H5I4TBQL-Phenylalanine, gamma-(methylsulfonyl)-L-alpha-aminobutyryl-L-alpha-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-RefChem:928263methylsulfonylaminobutyryl-8-Lys-9-Phe-ACTH (4-9)ACTH(4-9), methylsulfonylaminobutyryl-Lysyl(8)-Phenylalanine(9)-256-843-1Org 2766H-Met(O2)-Glu-His-Phe-D-Lys-Phe-OH(4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]-5-oxopentanoic acidDTXSID201356496
이름 더 보기
감마-(메틸술포닐)-L-알파-아미노부티릴-L-알파-글루타밀-L-히스티딜-3-페닐-L-알라닐-D-리실-L-알라닌4-(Methylsulfonyl)-L-Abu-L-Glu-L-His-L-Phe-D-Lys-L-Phe-OHL-Phenylalanine, S,S-dioxido-L-methionyl-L-α-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-γ-(methylsulphonyl)-L-α-aminobutyryl-L-α-glutamyl-L-histidyl-3-phenyl-L-alanyl-D-lysyl-L-alanine(2S)-2-Amino-4-(methylsulfonyl)butanoyl-L-alpha-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-L-phenylalanineL-Phenylalanine, (2S)-2-amino-4-(methylsulfonyl)butanoyl-L-alpha-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-
gamma-(Methylsulphonyl)-L-alpha-aminobutyryl-L-alpha-glutamyl-L-histidyl-3-phenyl-L-alanyl-D-lysyl-L-alanineEINECS 256-843-1UNII-OP1H5I4TBQorb1985509SCHEMBL29404734ACTH (4-9), methylsulfonylaminobutyryl-Lys(8)-Phe(9)-HY-P2113AKOS040753388
데이터베이스 식별자
- CAS
50913-82-1- PubChem CID
- 6917685
- DTXSID
DTXSID201356496- UNII
- OP1H5I4TBQ
- EC Number
- 256-843-1
- Nikkaji
- J275.286G
물성
구조 계산 물성
- XLogP
- -5
- 극성 표면적
- 343 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,570
물리화학적 성질
- 끓는 점
- 1379.46 · 1379.460±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.35 · 1.350±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 3.493 · 3.493±0.10(predicted)
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationDrugs used to prevent SEIZURES or reduce their severity.
공급사4 곳
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