기본 정보
- CAS
147930-82-3- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C- InChIKey
TYWILQHGJHOLET-YUUXQHAGSA-N- 분자식
- C130H210N40O39
- 평균 분자량
- 2,957.3 g/mol
- 단동위원소 질량
- 2,955.567887
이름 및 식별자
- 우선 이름
- MHC Class I-Derived Peptide
- IUPAC
- (4S)-5-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid
- 현지명
- MHC클래스I유래펩타이드
- 영어명
- MHC CLASS I-DERIVED PEPTIDE
- 분자식
- C130H210N40O39
- 분자량
- 2957.3
이름 및 동의어
MHC Class I-Derived Peptide147930-82-3SCHEMBL31563800MHC클래스I유래펩타이드ARG-GLU-THR-GLN-ILE-ALA-LYS-GLY-ASN-GLU-GLN-SER-PHE-ARG-VAL-ASP-LEU-ARG-THR-LEU-LEU-ARG-TYR-TYRH-ARG-GLU-THR-GLN-ILE-ALA-LYS-GLY-ASN-GLU-GLN-SER-PHE-ARG-VAL-ASP-LEU-ARG-THR-LEU-LEU-ARG-TYR-TYR-OHL-Tyrosine, L-arginyl-L-α-glutamyl-L-threonyl-L-glutaminyl-L-isoleucyl-L-alanyl-L-lysylglycyl-L-asparaginyl-L-α-glutamyl-L-glutaminyl-L-seryl-L-phenylalanyl-L-arginyl-L-valyl-L-α-aspartyl-L-leucyl-L-arginyl-L-threonyl-L-leucyl-L-leucyl-L-arginyl-L-tyrosyl- (9CI)
데이터베이스 식별자
- CAS
147930-82-3
물성
구조 계산 물성
- XLogP
- -12.7
- 극성 표면적
- 1,350 Ų
- 수소 결합 공여자 수
- 49
- 수소 결합 수용자 수
- 45
- 회전 가능 결합 수
- 105
- 무거운 원자 수
- 209
- 형식 전하
- 0
- 복잡도
- 6,710
물리화학적 성질
- 저장 조건
- 20 °C · −20°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
화학 및 산업
공급사6 곳
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
吉尔生化(上海)有限公司21-61263452 13641803416 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
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