아마스테인

Amastatin

HCID 439518
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기본 정보

CAS
67655-94-1
표준 SMILES
CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C
InChIKey
QFAADIRHLBXJJS-ZAZJUGBXSA-N
분자식
C21H38N4O8
평균 분자량
474.5 g/mol
단동위원소 질량
474.26896418

개요

Amastatin is a tetrapeptide comprising (2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl, L-valyl, L-valyl and L-aspartic acid units joined in sequence. It has a role as a protease inhibitor and an EC 3.4.11.* (aminopeptidase) inhibitor.

이름 및 식별자

우선 이름
Amastatin
IUPAC
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
현지명
아마스테인
영어명
AMASTATIN
분자식
C21H38N4O8
분자량
474.55

이름 및 동의어

Amastatin67655-94-1CHEBI:26243-amino-2-hydroxy-5-methylhexanoyl-L-valyl-L-valyl-L-aspartic acidN-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-aspartic acid(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acidL-Aspartic acid, N-(N-(N-(3-amino-2-hydroxy-5-methyl-1-oxohexyl)-L-valyl)-L-valyl)-, (S-(R*,S*))-N-((2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl)-L-valyl-L-valyl-L-aspartic acid(2S)-2-(((2S)-2-(((2S)-2-(((2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl)amino)-3-methylbutanoyl)amino)-3-methylbutanoyl)amino)butanedioic acidRefChem:1118403-amino-2-hydroxy-5-methylhexanoyl-Val-Val-AspLeu[1psi,CHOHCONH]ValValAsp
이름 더 보기
아마스테인Aids059868Aids-059868s*))-(s-(r*Antipain (0.5 mg vial)Amastatin (0.5 mg vial)AMASTATIN, STREPTOMYCES SPECIES[(2S,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-Val-val-Asp(2S,3R)-3-AMINO-2-HYDROXY-5-METHYLHEXANOYL-VAL-VAL-ASP-OHN-[(2S,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-Val-L-Val-L-Asp-OH
CHEMBL28650L-Aspartic acid, N-[(2S,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl]-L-valyl-L-valyl-N-((2S,3R)-3-Amino-2-hydroxy-5-methyl-1-oxohexyl)-L-valyl-L-valyl-L-aspartic acidN-[(2S,3R)-3-Amino-2-hydroxy-5-methyl-1-oxohexyl]-L-valyl-L-valyl-L-aspartic acid(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acidDTXSID10987015L-Aspartic acid, N-((2S,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl)-L-valyl-L-valyl-QFAADIRHLBXJJS-ZAZJUGBXSA-N

데이터베이스 식별자

CAS
67655-94-1
PubChem CID
439518
DTXSID
DTXSID10987015
ChEMBL
CHEMBL28650
ChEBI
CHEBI:2624
UNII
A4GW7NV79V
EC Number
614-098-3
Nikkaji
J18.575B

물성

구조 계산 물성

XLogP
-2
극성 표면적
208 Ų
수소 결합 공여자 수
7
수소 결합 수용자 수
9
회전 가능 결합 수
14
무거운 원자 수
33

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antibiotics

물리화학적 성질

끓는 점
795 ℃ · 795℃
밀도
1.228 · 1.228
인화점
435 ℃ · 435℃
물리적 상태
가루
산도 계수 (pKa)
2.865 · 2.865±0.10(predicted)
색상
하얀색

안전 및 규제

안전 데이터

HS 번호
29241900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).

상·하류 제품 정보

공급사11 곳

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

추가 설명

정의ChEBI: A tetrapeptide comprising (2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl, L-valyl, L-valyl and L-aspartic acid units joined in sequence

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