기본 정보
- 표준 SMILES
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
OIXQINQYMGNCII-YRVFCXMDSA-N- 분자식
- C49H62N10O13S2
- 평균 분자량
- 1,063.2 g/mol
개요
Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2 is an eight-membered oligopeptide consisting of Asp, Tyr, Met, Gly, Trp, Met, As and Phe-NH2 residues joined in sequence. It has a role as a mouse metabolite, a human metabolite and a rat metabolite. It is a peptidyl amide and an oligopeptide.
이름 및 식별자
- 우선 이름
- Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2
- IUPAC
- (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
이름 및 동의어
Asp-Tyr-Met-Gly-Trp-Met-Asp-Phe-NH2CHEBI:138169RefChem:1077297Cholecystokinin Octapeptide, desulfatedCholecystokinin Octapeptide (desulfated)H-ASP-TYR-MET-GLY-TRP-MET-ASP-PHE-NH2Desulfated CCK-8CHEMBL216166MFCD00076488(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acidCCK Octapeptide, desulfatedCCK(26-33) Desulfated
이름 더 보기
C49H62N10O13S2Desulfated CCK8OIXQINQYMGNCII-YRVFCXMDSA-NDYMGWMDF-NH2orb1679173orb3053955SCHEMBL29367037HY-P0196
데이터베이스 식별자
- PubChem CID
- 444998
- ChEMBL
CHEMBL216166- ChEBI
CHEBI:138169- Nikkaji
- J351.719E
물성
구조 계산 물성
- XLogP
- -2
- 극성 표면적
- 434 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 31
- 무거운 원자 수
- 74
- 형식 전하
- 0
- 복잡도
- 1,920
관련 반응
4건
연결된 노트
불러오는 중…