Mmi-0100
기본 정보
- CAS
1039342-24-9- 표준 SMILES
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)C(C)C- InChIKey
NXUWTKIOMJSLSV-DEEZXRHXSA-N- 분자식
- C98H171N37O26
- 평균 분자량
- 2,283.6 g/mol
- 단동위원소 질량
- 2,282.3195987
개요
inhibits MAPKAP kinase 2
이름 및 식별자
- 우선 이름
- Mmi-0100
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
- 영어명
- L-Alanine, L-tyrosyl-L-alanyl-L-arginyl-L-alanyl-L-alanyl-L-alanyl-L-arginyl-L-glutaminyl-L-alanyl-L-arginyl-L-alanyl-L-lysyl-L-alanyl-L-leucyl-L-alanyl-L-arginyl-L-glutaminyl-L-leucylglycyl-L-valyl-L-alanyl-
- 분자식
- C98H171N37O26
- 분자량
- 2283.64
이름 및 동의어
MMI-01001039342-24-96VP6PBL1ZHMMI 0100L-Alanine, L-tyrosyl-L-alanyl-L-arginyl-L-alanyl-L-alanyl-L-alanyl-L-arginyl-L-glutaminyl-L-alanyl-L-arginyl-L-alanyl-L-lysyl-L-alanyl-L-leucyl-L-alanyl-L-arginyl-L-glutaminyl-L-leucylglycyl-L-valyl-L-alanyl-RefChem:159272UNII-6VP6PBL1ZHCHEMBL3809901orb1981214SCHEMBL29380469BDBM50172064DA-65555
이름 더 보기
T76242
데이터베이스 식별자
- CAS
1039342-24-9
물성
구조 계산 물성
- XLogP
- -9.7
- 극성 표면적
- 1,050 Ų
- 수소 결합 공여자 수
- 39
- 수소 결합 수용자 수
- 32
- 회전 가능 결합 수
- 80
- 무거운 원자 수
- 161
- 형식 전하
- 0
- 복잡도
- 5,010
물리화학적 성질
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C, · Store at -20°C, protect from light, stored under nitrogen
- 물리적 상태
- Solid
- 색상
- White to off-white
- 수용성
- 100 mg/mL · Water : 100 mg/mL (43.79 mM; Need ultrasonic)
관련 반응
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