기본 정보
- CAS
243975-37-3- 표준 SMILES
CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O- InChIKey
UHBHXSDKGLPPGO-HTDHLNIYSA-N- 분자식
- C29H41N9O10
- 평균 분자량
- 675.7 g/mol
- 단동위원소 질량
- 675.29763854
개요
Argifin has been reported in Gliocladium with data available.
이름 및 식별자
- 우선 이름
- Argifin
- IUPAC
- (2R,5S,8S,11S,15S)-5-[3-[[amino-(methylcarbamoylamino)methylidene]amino]propyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid
- 영어명
- Argifin
- 분자식
- C29H41N9O10
- 분자량
- 675.69014
이름 및 동의어
Argifin243975-37-3DTXSID00332297(2R,5S,8S,11S,15S)-5-[3-[[amino-(methylcarbamoylamino)methylidene]amino]propyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid(2R,5S,8S,11S,15S)-5-(3-((amino-(methylcarbamoylamino)methylidene)amino)propyl)-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acidRefChem:559935DTXCID40283390(2S,5R,8R,11R,15S)-5-(3-((amino-(methylcarbamoylamino)methylidene)amino)propyl)-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acidCHEMBL197199(2R,5S,8S,11S,15S)-8-Benzyl-2,7-dimethyl-5-(3-(3-(methylcarbamoyl)guanidino)propyl)-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid1w9v1wb0
이름 더 보기
Cyclo[D-alanyl-N5-[imino[[(methylamino)carbonyl]amino]methyl]-L-ornithyl-N-methyl-L-phenylalanyl-L-b-aspartyl-L-b-aspartyl]Cyclo[D-alanyl-N5-[imino[[(methylamino)carbonyl]amino]methyl]-L-ornithyl-N-methyl-L-phenylalanyl-L-β-aspartyl-L-β-aspartyl]
물성
구조 계산 물성
- XLogP
- -1.9
- 극성 표면적
- 291 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,250
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 3.01 · 3.01±0.70(Predicted)
- 색상
- White to off-white
화학 및 산업
공급사5 곳
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
西安齐岳生物科技有限公司400-400-6966-012-012 17778955912 · [email protected]
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