(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
기본 정보
- CAS
160295-81-8- 표준 SMILES
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C- InChIKey
PQGCYSRGXCORLN-RJXLGPPMSA-N- 분자식
- C53H79N13O10
- 평균 분자량
- 1,058.3 g/mol
- 단동위원소 질량
- 1,057.60728577
이름 및 식별자
- 우선 이름
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
- 영어명
- H-PHE-LEU-TRP-GLY-PRO-ARG-ALA-LEU-VAL-OH
- 분자식
- C53H79N13O10
- 분자량
- 1058.28
이름 및 동의어
160295-81-8H-Phe-Leu-Trp-Gly-Pro-Arg-Ala-Leu-Val-OHMAGE-3 (271-279)(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acidL-Valine,L-phenylalanyl-L-leucyl-L-tryptophylglycyl-L-prolyl-L-arginyl-L-alanyl-L-leucyl-MAGE-3 ANTIGEN (271-279) (HUMAN)H-FLWGPRALV-OHorb1984729DTXSID10352946(6S,9S,12S,15S)-1-Amino-6-((S)-1-(2-((S)-2-((S)-2-((S)-2-amino-3-phenylPropanamido)-4-methylpentanamido)-3-(1H-indol-3-yl)Propanamido)acetyl)pyrrolidine-2-carboxamido)-1-imino-12-isobutyl-15-isoPropyl-9-methyl-7,10,13-trioxo-2,8,11,14-tetraazahexadecan-16-oic acidHY-P2524AKOS030525582
이름 더 보기
FLWGPRALVH2N-FLWGPRALV-OHMAGE-3 HUMAN (271-279)MAGE-3 (271-279) - 1 mgPHE-LEU-TRP-GLY-PRO-ARG-ALA-LEU-VALPHE-LEU-TRP-GLY-PRO-ARG-ALA-LEU-VAL: FLWGPRALVMELANOMA-ASSOCIATED ANTIGEN 3 (271-279) (HUMAN)
FM109069CS-0135068T39067MAGE-3 Antigen (271-279) (human) trifluoroacetate saltMelanoma Antigen Gene-encoding Fragment 3 (271-279), humanL-aValine, L-aphenylalanyl-aL-aleucyl-aL-atryptophylglycyl-aL-aprolyl-aL-aarginyl-aL-aalanyl-aL-aleucyl-L-Phenylalanyl-L-leucyl-L-tryptophylglycyl-L-prolyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alanyl-L-leucyl-L-valine
데이터베이스 식별자
- CAS
160295-81-8- PubChem CID
- 448080
- DTXSID
DTXSID10352946- Nikkaji
- J2.044.506H
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 368 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 29
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 2,010
물리화학적 성질
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 저장 조건
- -15 °C · -15°C
- 산도 계수 (pKa)
- 3.37 · 3.37±0.10(Predicted)
화학 및 산업
공급사55 곳
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