기본 정보
- 표준 SMILES
CCCCCCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)NC(C)C(=O)N[C@H](CC(C)C)C(=O)NC(CCC(N)=O)C(=O)N(C)C([C@@H](C)CC)C(=O)N[C@H]([C@@H](O)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)NC(CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N1- InChIKey
ZGEFAENLWOFMKR-YZVLHJFSSA-N- 분자식
- C65H114N14O18
- 평균 분자량
- 1,379.7 g/mol
- 단동위원소 질량
- 1,378.84355284
개요
Laxaphycin B2 is an oligopeptide.
이름 및 식별자
- 우선 이름
- Laxaphycin B2
- IUPAC
- 3-[(3S,6R,15R,21R,24S,28R,31S,37S)-6-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-9-[(2S)-butan-2-yl]-28-heptyl-31-(1-hydroxyethyl)-3-[(1R)-1-hydroxyethyl]-21-[(1S)-1-hydroxy-2-methylpropyl]-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
이름 및 동의어
Laxaphycin B2DTXSID701334148RefChem:152563DTXCID9017635453-((3S,6R,15R,21R,24S,28R,31S,37S)-6-((1R)-2-amino-1-hydroxy-2-oxoethyl)-9-((2S)-butan-2-yl)-28-heptyl-31-(1-hydroxyethyl)-3-((1R)-1-hydroxyethyl)-21-((1S)-1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo(35.3.0)tetracontan-12-yl)propanamide3-((3S,6R,9S,12S,15R,18S,21R,24S,28R,31S,34R,37S)-6-((1R)-2-amino-1-hydroxy-2-oxoethyl)-9-((2S)-butan-2-yl)-28-heptyl-3,31-bis((1R)-1-hydroxyethyl)-21-((1S)-1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo(35.3.0)tetracontan-12-yl)propanamideSCHEMBL29884441CHEBI:198885
데이터베이스 식별자
- PubChem CID
- 22833264
- DTXSID
DTXSID701334148- ChEMBL
CHEMBL376457- ChEBI
CHEBI:198885
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 499 Ų
- 수소 결합 공여자 수
- 16
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 97
- 형식 전하
- 0
- 복잡도
- 2,720
관련 반응
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