Gramicidin A
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기본 정보
- CAS
11029-61-1- 표준 SMILES
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C- InChIKey
ZWCXYZRRTRDGQE-LUPIJMBPSA-N- 분자식
- C99H140N20O17
- 평균 분자량
- 1,882.3 g/mol
- 단동위원소 질량
- 1,881.07053308
개요
Gramicidin is a heterogeneous mixture of six antibiotic peptides obtained from the soil bacterium Bacillus brevis. Gramicidin is active against most Gram-positive bacteria and against select Gram-negative organisms. It is administered as a topical application.
이름 및 식별자
- 우선 이름
- Gramicidin A
- IUPAC
- (2R)-2-[[(2S)-2-[[2-[[(2S)-2-formamido-3-methylbutanoyl]amino]acetyl]amino]propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide
- 영어명
- CHO-L-Val-Gly-L-Ala-D-Leu-L-Ala-D-Val-L-Val-D-Val-L-Trp-D-Leu-L-Trp-D-Leu-L-Trp-D-Leu-L-Trp-NHEtOH
- 분자식
- C99H140N20O17
- 분자량
- 1882.33
이름 및 동의어
Gramicidin ARefChem:782672DTXSID901031148234-259-8(2R)-2-(((2S)-2-((2-(((2S)-2-formamido-3-methylbutanoyl)amino)acetyl)amino)propanoyl)amino)-N-((2S)-1-(((2R)-1-(((2S)-1-(((2R)-1-(((2S)-1-(((2R)-1-(((2S)-1-(((2R)-1-(((2S)-1-(((2R)-1-(((2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxopropan-2-yl)-4-methylpentanamide11029-61-1Valinegramicidin AValyl gramicidin AGRAMICIDIN1-L-Valinegramicidin AGramicdin A4419-81-2
이름 더 보기
물성
구조 계산 물성보충 중
- XLogP
- 10.7
- 극성 표면적
- 549 Ų
- 수소 결합 공여자 수
- 21
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 52
- 무거운 원자 수
- 136
- 형식 전하
- 0
- 복잡도
- 3,980
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 끓는 점
- 1993.4 · 1993.4±65.0 °C(Predicted)
- 밀도
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.17 · 13.17±0.46(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
약리 정보
ATC Code
R - Respiratory system
QR - Respiratory system
MeSH Pharmacological Classification
Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
Substances that inhibit the growth or reproduction of BACTERIA.
관련 반응
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