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](C(O)C(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)N2C[C@H](O)C[C@H]2C(=O)NC(CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N1- InChIKey
MRTGWORMQOZSMV-BYCMVUIZSA-N- 분자식
- C65H114N14O20
- 평균 분자량
- 1,411.7 g/mol
- 단동위원소 질량
- 1,410.83338208
개요
Laxaphycin B3 is an oligopeptide.
이름 및 식별자
- 우선 이름
- Laxaphycin B3
- IUPAC
- 3-[(3S,6R,15R,21S,24S,28R,31S,37S,39R)-6-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-9-[(2S)-butan-2-yl]-28-heptyl-39-hydroxy-31-(1-hydroxyethyl)-3-[(1R)-1-hydroxyethyl]-21-[(1S)-1-hydroxy-2-methylpropyl]-15-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(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 B3DTXSID201046586RefChem:152564DTXCID2015284113-((3S,6R,9S,12S,15R,18S,21S,24S,28R,31S,34R,37S,39R)-6-((1R)-2-amino-1-hydroxy-2-oxoethyl)-9-((2S)-butan-2-yl)-28-heptyl-39-hydroxy-3,31-bis((1R)-1-hydroxyethyl)-15,21-bis((1S)-1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(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)propanamideCHEBI:216611
데이터베이스 식별자
- PubChem CID
- 22833265
- DTXSID
DTXSID201046586- ChEMBL
CHEMBL425110- ChEBI
CHEBI:216611
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 539 Ų
- 수소 결합 공여자 수
- 18
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 99
- 형식 전하
- 0
- 복잡도
- 2,790
관련 반응
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