[1-[(3R,12S,19S,28S,31E,34R,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
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(CC(O)C(O)CC(C)C)OC(=O)C(Cc2ccc(O)cc2)N(C)C(C)=O)NC(=O)[C@@H]2CCCN2C(=O)C(CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O- InChIKey
XCGGFKXEWPNQFS-CYWMHIOQSA-N- 분자식
- C73H107N13O21
- 평균 분자량
- 1,502.7 g/mol
- 단동위원소 질량
- 1,501.77044747
개요
Lyngbyaureidamides B has been reported in Lyngbya with data available.
이름 및 식별자
- 우선 이름
- [1-[(3R,12S,19S,28S,31E,34R,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
- IUPAC
- [1-[(3R,12S,19S,28S,31E,34R,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
이름 및 동의어
DTXSID401334818
데이터베이스 식별자
- PubChem CID
- 155802413
- DTXSID
DTXSID401334818
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 505 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 107
- 형식 전하
- 0
- 복잡도
- 3,150
관련 반응
0건
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