Ustiloxin D
기본 정보
- CAS
158243-18-6- 표준 SMILES
CC[C@@]1(C)Oc2cc(ccc2O)[C@@H](O)[C@H](NC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)NCC(=O)O- InChIKey
GDXLZSYACWZHOC-ZNRYNLAGSA-N- 분자식
- C23H34N4O8
- 평균 분자량
- 494.5 g/mol
- 단동위원소 질량
- 494.23766406
개요
Ustiloxin D is an oligopeptide.
이름 및 식별자
- 우선 이름
- Ustiloxin D
- IUPAC
- 2-[[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid
이름 및 동의어
Ustiloxin D158243-18-6DTXSID901663862-[[(3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid2-(((3R,4S,7S,10S,11R)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-propan-2-yl-2-oxa-5,8-diazabicyclo(10.3.1)hexadeca-1(15),12(16),13-triene-4-carbonyl)amino)acetic acidRefChem:193396DTXCID1088877CHEMBL386110SCHEMBL29880388CHEBI:168103(beta-R)-beta,3-Dihydroxy-N-methyl-L-tyrosyl-L-valyl-3-hydroxy-L-isoleucylglycine cyclic (1(sup 3)-3)-etherGlycine, (beta-R)-beta,3-dihydroxy-N-methyl-L-tyrosyl-L-valyl-3-hydroxy-L-isoleucyl-, cyclic (1(sup 3)-3)-ether
이름 더 보기
Glycine, threo-beta,3-dihydroxy-N-methyl-L-tyrosyl-L-valyl-3-hydroxy-L-isoleucyl-, cyclic (1(3)-3)-etherN-[(3R,4S,7S,10S,11R)-3-Ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-(propan-2-yl)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-triene-4-carbonyl]glycine
물성
구조 계산 물성
- XLogP
- -2
- 극성 표면적
- 186 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 793
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