기본 정보
- 표준 SMILES
C/C(=C\C(=O)OCCCCCCCC(=O)NC1CCCNC1=O)C(O)[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O- InChIKey
BJKYLYDPTXLFIC-IIJHPWTMSA-N- 분자식
- C30H50N2O9
- 평균 분자량
- 582.7 g/mol
- 단동위원소 질량
- 582.35163118
개요
Hydroxypseudomonic acid-C amide is a N-acyl-amino acid.
이름 및 식별자
- 우선 이름
- [8-oxo-8-[(2-oxopiperidin-3-yl)amino]octyl] (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate
- IUPAC
- [8-oxo-8-[(2-oxopiperidin-3-yl)amino]octyl] (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate
이름 및 동의어
NSC646281Hydroxypseudomonic acid-C amideCHEBI:204465BP-1, isolate from marine bacteriumNSC-646281[8-oxo-8-[(2-oxopiperidin-3-yl)amino]octyl] (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoate[8-oxo-8-[(2-oxo-3-piperidyl)amino]octyl] (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(E,4R,5S)-5-hydroxy-4-methyl-hex-2-enyl]tetrahydropyran-2-yl]-4-hydroxy-3-methyl-but-2-enoate8-Oxo-8-((2-oxo-3-piperidinyl)amino)octyl 5,9-anhydro-2,3,8-trideoxy-8-(5-hydroxy-4-methyl-2-hexenyl)-3-methylnon-2-enonate
데이터베이스 식별자
- ChEBI
CHEBI:204465
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 893
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