기본 정보
- CAS
11001-74-4- 표준 SMILES
CSC1SCC2C(=O)N(C)C(C(C)C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C- InChIKey
WNYOPINACXXCOV-UHFFFAOYSA-N- 분자식
- C55H72N12O12S2
- 평균 분자량
- 1,157.4 g/mol
- 단동위원소 질량
- 1,156.48340813
개요
Quinomycin C has been reported in Streptomyces echinatus with data available.
이름 및 식별자
- 우선 이름
- Antibiotic U 48160
- IUPAC
- N-[2,4,12,15,17,25-hexamethyl-11,24-bis(3-methylbutan-2-yl)-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
- 영어명
- L-Alloisoleucine, N-(2-quinoxalinylcarbonyl)-O-[N-(2-quinoxalinylcarbonyl)-D-seryl-L-alanyl-3-mercapto-N,S-dimethylcysteinyl-N,4-dimethyl-L-alloisoleucyl]-D-seryl-L-alanyl-N-methylcysteinyl-N,4-dimethyl-, (8→1)-lactone, cyclic (3→7)-thioether
- 분자식
- C55H72N12O12S2
- 분자량
- 1157.37
이름 및 동의어
11001-74-4Antibiotic U 48160L-Alloisoleucine, N-(2-quinoxalinylcarbonyl)-O-[N-(2-quinoxalinylcarbonyl)-D-seryl-L-alanyl-3-mercapto-N,S-dimethylcysteinyl-N,4-dimethyl-L-alloisoleucyl]-D-seryl-L-alanyl-N-methylcysteinyl-N,4-dimethyl-, (8-->1)-lactone, cyclic (3-->7)-thioetherBRN 1071168U 48160Quinomycin A, 4-(N,4-dimethyl-L-alloisoleucine)-8-(N,4-dimethyl-L-alloisoleucine)-orb3023126SCHEMBL29885558DTXSID201098018HY-N14916TN9931L-Alloisoleucine, N-(2-quinoxalinylcarbonyl)-O-[N-(2-quinoxalinylcarbonyl)-D-seryl-L-alanyl-3-mercapto-N,S-dimethylcysteinyl-N,4-dimethyl-L-alloisoleucyl]-D-seryl-L-alanyl-N-methylcysteinyl-N,4-dimethyl-, (8a1)-lactone, cyclic (3a7)-thioether
이름 더 보기
L-Alloisoleucine, N-(2-quinoxalinylcarbonyl)-O-[N-(2-quinoxalinylcarbonyl)-D-seryl-L-alanyl-3-mercapto-N,S-dimethylcysteinyl-N,4-dimethyl-L-alloisoleucyl]-D-seryl-L-alanyl-N-methylcysteinyl-N,4-dimethyl-, (8→1)-lactone, cyclic (3→7)-thioether
데이터베이스 식별자
- CAS
11001-74-4- PubChem CID
- 197124
- DTXSID
DTXSID201098018
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 352 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 81
- 형식 전하
- 0
- 복잡도
- 2,300
물리화학적 성질
- 끓는 점
- 1418.6 · 1418.6±65.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.37 · 9.37±0.70(Predicted)
화학 및 산업
공급사1 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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