Cycloaspeptide F
기본 정보
- CAS
1174132-23-0- 표준 SMILES
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)N(C)C1=O- InChIKey
HGCDDJBOTFSYBL-HEZYXVPISA-N- 분자식
- C42H53N5O11
- 평균 분자량
- 803.9 g/mol
- 단동위원소 질량
- 803.37415752
개요
Cycloaspeptide F is an oligopeptide.
이름 및 식별자
- 우선 이름
- Cycloaspeptide F
- IUPAC
- (4S,7S,10S,13S)-10-benzyl-5,11,13-trimethyl-7-(2-methylpropyl)-4-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentone
이름 및 동의어
Cycloaspeptide FDTXSID0010175731174132-23-0(4S,7S,10S,13S)-10-benzyl-5,11,13-trimethyl-7-(2-methylpropyl)-4-((4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl)-2,5,8,11,14-pentazabicyclo(14.4.0)icosa-1(20),16,18-triene-3,6,9,12,15-pentone(4S,7S,10S,13S)-10-benzyl-5,11,13-trimethyl-7-(2-methylpropyl)-4-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(20),16,18-triene-3,6,9,12,15-pentoneRefChem:129373DTXCID401475757(4S,7S,10S,13S)-7-benzyl-4,6,12-trimethyl-10-(2-methylpropyl)-13-((4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl)-3,6,9,12,15-pentazabicyclo(14.4.0)icosa-1(20),16,18-triene-2,5,8,11,14-pentoneCHEMBL553621CHEBI:1981604-{[(3S,6S,9S,12S)-9-Benzyl-4,10,12-trimethyl-6-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecahydro-1,4,7,10,13-benzopentaazacyclohexadecin-3-yl]methyl}phenyl beta-D-glucopyranoside
데이터베이스 식별자
- CAS
1174132-23-0- PubChem CID
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 227 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,410
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