기본 정보
- CAS
103614-06-8- 표준 SMILES
CN[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C=S)NC(=O)[C@@H](N)Cc1ccc(O)cc1- InChIKey
HZVKGQPGVYVRKU-XOFRUKGJSA-N- 분자식
- C51H81N19O10S2
- 평균 분자량
- 1,184.4 g/mol
- 단동위원소 질량
- 1,183.5855222
이름 및 식별자
- 우선 이름
- Daaccal
- IUPAC
- (2R)-N-[(2S)-1-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylidenepropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide
- 현지명
- 다이노르핀A아미드(1-9),Cys(2)-Cys(5)-MeArg(7)-Leu(8)-
- 영어명
- dynorphin A amide (1-9), Cys(2)-Cys(5)-MeArg(7)-Leu(8)-
- 분자식
- C51H81N19O10S2
- 분자량
- 1184.44014
이름 및 동의어
Daaccal103614-06-82-Cys-5-cys-7-mearg-8-leu-dynorphin A (1-9)-NH2Dynorphin A amide (1-9), cys(2)-cys(5)-mearg(7)-leu(8)-DTXSID50145950Dynorphin A amide (1-9), cysteinyl(2)-cysteinyl(5)-methylarginyl(7)-leucine(8)-RefChem:919595DTXCID5068441L-Argininamide, L-tyrosyl-D-cysteinylglycyl-L-phenylalanyl-L-cysteinyl-L-arginyl-N2-methyl-L-arginyl-D-leucyl-, cyclic (2-5)-disulfide(S)-N-((2S,5S,11S,14R,17S,21S,24R)-2-amino-11-benzyl-17,21-bis(3-guanidinopropyl)-1-(4-hydroxyphenyl)-14-(mercaptomethyl)-26-methyl-3,6,9,12,15,18,20,23-octaoxo-5-thioformyl-4,7,10,13,16,19,22-heptaazaheptacosan-24-yl)-5-guanidino-2-(methylamino)pentanamideL-Tyrosyl-3-sulfanylidene-D-alanylglycyl-L-phenylalanyl-L-cysteinyl-N~5~-(diaminomethylidene)-N-[(2S)-5-[(diaminomethylidene)amino]-2-{[N~5~-(diaminomethylidene)-N~2~-methyl-L-ornithyl-D-leucyl]amino}pentanoyl]-L-ornithinamide다이노르핀A아미드(1-9),Cys(2)-Cys(5)-MeArg(7)-Leu(8)-
물성
구조 계산 물성
- XLogP
- -3
- 극성 표면적
- 534 Ų
- 수소 결합 공여자 수
- 18
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 37
- 무거운 원자 수
- 82
- 형식 전하
- 0
- 복잡도
- 2,180
화학 및 산업
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