백선유도원리[WLIP]
(4R)-5-[[(3S,6R,9S,12R,15R,18R,21R,22R)-3-[(2S)-butan-2-yl]-6,12-bis(hydroxymethyl)-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-18-propan-2-yl-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
기본 정보
- CAS
135096-89-8- 표준 SMILES
CCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C- InChIKey
QYEWAEAWMXRMHB-YCDXGENYSA-N- 분자식
- C54H95N9O16
- 평균 분자량
- 1,126.4 g/mol
- 단동위원소 질량
- 1,125.68967798
이름 및 식별자
- 우선 이름
- (4R)-5-[[(3S,6R,9S,12R,15R,18R,21R,22R)-3-[(2S)-butan-2-yl]-6,12-bis(hydroxymethyl)-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-18-propan-2-yl-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
- IUPAC
- (4R)-5-[[(3S,6R,9S,12R,15R,18R,21R,22R)-3-[(2S)-butan-2-yl]-6,12-bis(hydroxymethyl)-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-18-propan-2-yl-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
- 현지명
- 백선유도원리[WLIP]
- 영어명
- White Line Inducing Principle [WLIP]
- 분자식
- C54H95N9O16
- 분자량
- 1126.38
이름 및 동의어
CHEMBL2336396백선유도원리[WLIP]White-line inducing principle (Pseudomonas reactans)WLIPWhite Line Inducing Principle [WLIP]L-Isoleucine, N-[(3R)-3-hydroxy-1-oxodecyl]-L-leucyl-D-α-glutamyl-D-allothreonyl-D-valyl-D-leucyl-D-seryl-L-leucyl-D-seryl-, (9→3)-lactone
데이터베이스 식별자
- CAS
135096-89-8- PubChem CID
- 71718880
- ChEMBL
CHEMBL2336396
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 386 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 79
- 형식 전하
- 0
- 복잡도
- 2,020
물리화학적 성질
- 끓는 점
- 1431.2 · 1431.2±65.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.43 · 4.43±0.10(Predicted)
화학 및 산업
응용 분야
용도White Line Inducing Principle [WLIP] is a lipodepsipeptide with antimicrobial, antibacterial and antifungal properties.
공급사3 곳
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海同田生物技术有限公司021-51320588 · [email protected]
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