CID 176418251
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기본 정보
- CAS
1453222-26-8- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC- InChIKey
SYHNQEAAZWGLKW-NNUNXKMRSA-N- 분자식
- C155H256N48O40
- 평균 분자량
- 3,432 g/mol
- 단동위원소 질량
- 3,429.9473451
이름 및 식별자
- 우선 이름
- CID 176418251
- IUPAC
- (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,5S,8S,11S,20S)-20-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-2-(4-aminobutyl)-5-[(2S)-butan-2-yl]-11,20-dimethyl-8-(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetrazacyclohenicos-15-ene-11-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(1S)-1-carboxy-2-methylpropyl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- 영어명
- SAH-EZH2
- 분자식
- C155H256N48O40
- 분자량
- 3431.99
이름 및 동의어
SAH-EZH21453222-26-8orb1679238L-Valine, L-lysyl-L-isoleucyl-L-leucyl-N11-(N-acetyl-L-phenylalanyl-L-seryl-L-seryl-L-asparaginyl-L-arginyl)-(2S,11S)-2,11-diamino-11-carboxy-2-methyl-6-dodecenoyl-L-arginyl-L-threonyl-L-glutaminyl-L-isoleucyl-L-leucyl-L-asparaginyl-L-glutaminyl-L-α-glutamyl-L-tryptophyl-L-lysyl-L-glutaminyl-L-argin...L-Valine, L-lysyl-L-isoleucyl-L-leucyl-N11-(N-acetyl-L-phenylalanyl-L-seryl-L-seryl-L-asparaginyl-L-arginyl)-(2S,11S)-2,11-diamino-11-carboxy-2-methyl-6-dodecenoyl-L-arginyl-L-threonyl-L-glutaminyl-L-isoleucyl-L-leucyl-L-asparaginyl-L-glutaminyl-L-α-glutamyl-L-tryptophyl-L-lysyl-L-glutaminyl-L-arginyl-L-arginyl-L-isoleucyl-L-glutaminyl-L-prolyl-, (4→12)-lactam
물성
구조 계산 물성보충 중
- XLogP
- -12.9
- 극성 표면적
- 1,490 Ų
- 수소 결합 공여자 수
- 52
- 수소 결합 수용자 수
- 46
- 회전 가능 결합 수
- 110
- 무거운 원자 수
- 243
- 형식 전하
- 0
- 복잡도
- 8,140
물리화학적 성질
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
관련 반응
0건
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