Lyngbyazothrin A
기본 정보
- 표준 SMILES
C/C=C1/NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(O)C(CC(O)CC(O)C(O)CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)C(CCc2ccc(OC)cc2)NC(=O)[C@H]([C@@H](C)O)NC1=O- InChIKey
ACFCYNJDAMJVRV-NPTOQFMUSA-N- 분자식
- C62H96N12O19
- 평균 분자량
- 1,313.5 g/mol
- 단동위원소 질량
- 1,312.69146888
개요
Lyngbyazothrin A is a polypeptide.
이름 및 식별자
- 우선 이름
- Lyngbyazothrin A
- IUPAC
- 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
이름 및 동의어
Lyngbyazothrin A3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide3-((3S,12S,19S,28S,31E,34S,37R,40S)-37-((2S)-butan-2-yl)-31-ethylidene-15-hydroxy-28-((1R)-1-hydroxyethyl)-34-(hydroxymethyl)-25-(2-(4-methoxyphenyl)ethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo(38.3.0.03,7.019,23)tritetracontan-12-yl)propanamideRefChem:1546871182344-87-13-((3S,12S,19S,28S,31E,34S,37R,40S)-37-((2S)-Butan-2-yl)-31-ethylidene-11,14,15,18,27,30,33,36,39-nonahydroxy-28-((1R)-1-hydroxyethyl)-34-(hydroxymethyl)-25-(2-(4-methoxyphenyl)ethyl)-2,8,24-trioxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecaazatetracyclo(38.3.0.0,.0,)tritetraconta-10,13,17,26,29,32,35,38-octaen-12-yl)propanimidate3-((9S,15S,18R,20aS,25aS,34S,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo(1,2-b1:1',2'-g:1'',2''-j)(1,4,7,10,13,16,19,22,25,28,31)undecaazacyclotetratriacontin-34-yl)propanamide
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 467 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 93
- 형식 전하
- 0
- 복잡도
- 2,660
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