마이코바실린
Mycobacillin
기본 정보
- CAS
18524-67-9- 표준 SMILES
CC(C)C[C@@H]1NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@H](C(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)O)NC(=O)CC[C@H](C(=O)O)NC1=O- InChIKey
MGMBOQJARKXIAL-LCLLRQAKSA-N- 분자식
- C65H85N13O30
- 평균 분자량
- 1,528.4 g/mol
- 단동위원소 질량
- 1,527.5525283
개요
A cyclic polypeptide antibiotic isolated from culture filtrates of Bacillus subtilis that acts as an antifungal agent.
이름 및 식별자
- 우선 이름
- Mycobacillin
- IUPAC
- (3R,6S,9R,14R,17S,20R,23S,26S,29S,32S,37R,40R,43S)-3,9,20,29,40-pentakis(carboxymethyl)-23-(hydroxymethyl)-26,32-bis[(4-hydroxyphenyl)methyl]-6-methyl-17-(2-methylpropyl)-2,5,8,11,16,19,22,25,28,31,34,39,42-tridecaoxo-1,4,7,10,15,18,21,24,27,30,33,38,41-tridecazabicyclo[41.3.0]hexatetracontane-14,37-dicarboxylic acid
- 현지명
- 마이코바실린
- 영어명
- Mycobacillin
- 분자식
- C65H85N13O30
- 분자량
- 1528.44
이름 및 동의어
MYCOBACILLIN18524-67-9XY4W543XGKDTXSID401028548RefChem:160294DTXCID201514125UNII-XY4W543XGKMYCOBACILLIN [MI]SCHEMBL29387275(3R,6S,9R,14R,17S,20R,23S,26S,29S,32S,37R,40R,43S)-3,9,20,29,40-pentakis(carboxymethyl)-23-(hydroxymethyl)-26,32-bis[(4-hydroxyphenyl)methyl]-6-methyl-17-(2-methylpropyl)-2,5,8,11,16,19,22,25,28,31,34,39,42-tridecaoxo-1,4,7,10,15,18,21,24,27,30,33,38,41-tridecazabicyclo[41.3.0]hexatetracontane-14,37-dicarboxylic acidCYCLO(L-ALANYL-D-.ALPHA.-ASPARTYL-L-PROLYL-D-.ALPHA.-ASPARTYL-D-.GAMMA.-GLUTAMYL-L-TYROSYL-L-.ALPHA.-ASPARTYL-L-TYROSYL-L-SERYL-D-.ALPHA.-ASPARTYL-L-LEUCYL-D-.GAMMA.-GLUTAMYL-D-.ALPHA.-ASPARTYL)마이코바실린
데이터베이스 식별자
- CAS
18524-67-9- PubChem CID
- 57307378
- DTXSID
DTXSID401028548- UNII
- XY4W543XGK
- Nikkaji
- J915.516C
물성
구조 계산 물성
- XLogP
- -5.1
- 극성 표면적
- 691 Ų
- 수소 결합 공여자 수
- 22
- 수소 결합 수용자 수
- 30
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 108
- 형식 전하
- 0
- 복잡도
- 3,340
물리화학적 성질
- 녹는점
- 235 · 235-240°
- 끓는 점
- 2102.4 · 2102.4±65.0 °C(Predicted)
- 밀도
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.22 · 3.22±0.70(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Substances that inhibit the growth or reproduction of BACTERIA.
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