기본 정보
- CAS
209006-05-3- 표준 SMILES
CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)NC1=O- InChIKey
HUDNCNKRBYKWKH-RDZOQIRMSA-N- 분자식
- C54H66Cl2N12O8S2
- 평균 분자량
- 1,146.2 g/mol
- 단동위원소 질량
- 1,144.3945048
이름 및 식별자
- 우선 이름
- Chlorophenylalanyl-cyclo(cysteinyl-1-oxohexadecyl-tryptophyl-lysyl-valyl-cysteinyl)-chlorophenylalanylamide
- IUPAC
- (4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]-19-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
- 영어명
- SB-710411
- 분자식
- C54H66Cl2N12O8S2
- 분자량
- 1146.21
이름 및 동의어
209006-05-3SB 710411Cpa-c(D-Cys-Pal-D-Trp-Lys-Val-Cys)-Cpa-amideChlorophenylalanyl-cyclo(cysteinyl-1-oxohexadecyl-tryptophyl-lysyl-valyl-cysteinyl)-chlorophenylalanylamideSB-710411(4R,7S,10S,13R,16S,19S)-10-(4-Aminobutyl)-N-[(2S)-1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]-19-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamideL-Phenylalaninamide, 4-chloro-L-phenylalanyl-D-cysteinyl-3-(3-pyridinyl)-L-alanyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-4-chloro-, cyclic (2-7)-disulfideUROTENSIN II RECEPTOR ANTAGONISTPCL-PHE-D-CYS-PYA3-D-TRP-LYS-VAL-CYS-PCL-PHE-NH2H-p-Chloro-Phe-D-Cys-b-(3-pyridyl)-Ala-D-Trp-Lys-Val-Cys-p-chloro-Phe-NH2H-p-Chloro-Phe-D-Cys-β-(3-pyridyl)-Ala-D-Trp-Lys-Val-Cys-p-chloro-Phe-NH?H-P-CHLORO-PHE-D-CYS-BETA-(3-PYRIDYL)-ALA-D-TRP-LYS-VAL-CYS-P-CHLORO-PHE-NH2
이름 더 보기
pCl-Phe-D-Cys-Pya3-D-Trp-Lys-Val-Cys-pCl-Phe-NH2 (Disulfide bridge D-Cys2-Cys7)H-p-Chloro-Phe-D-Cys-β-(3-pyridyl)-Ala-D-Trp-Lys-Val-Cys-p-chloro-Phe-NH2 (Disulfide bond)H-p-Chloro-Phe-D-Cys-β-(3-pyridyl)-Ala-D-Trp-Lys-Val-Cys-p-chloro-Phe-NH2 (Disulfide bond)H-p-Chloro-Phe-D-Cys-β-(3-pyridyl)-Ala-D-Trp-Lys-Val-Cys-p-chloro-Phe-NH trifluoroacetate salt (Disulfide bond)
데이터베이스 식별자
- CAS
209006-05-3- PubChem CID
- 9898353
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 378 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 78
- 형식 전하
- 0
- 복잡도
- 2,000
물리화학적 성질
- 끓는 점
- 1485.9 · 1485.9±65.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.72 · 12.72±0.70(Predicted)
화학 및 산업
공급사15 곳
上海鸿肽生物科技有限公司15318089928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Creative Peptides[email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
南京肽谷生物科技有限公司18115476705 · [email protected]
成都云希化工有限公司+86-17380623303 · [email protected]
浙江杰坤生物科技有限公司15397062932 · [email protected]
南京源肽生物科技有限公司13357818155 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+8617355064950 · [email protected]
南京肽研生物科技有限公司19961912513 19941518170 · [email protected]
Nanjing TGpeptide+86-13347807150 · [email protected]
绍兴市均宇生物科技有限公司0571-0571-88211921 19105816207 · [email protected]
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