기본 정보
- CAS
1160237-55-7- 표준 SMILES
CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN[N+](C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(C)C)([C@H](C=O)CO)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O- InChIKey
OQKGFBYMWUEBMA-URBJUZIWSA-O- 분자식
- C119H186N34O34PS+
- 평균 분자량
- 2,700 g/mol
- 단동위원소 질량
- 2,698.3329023
이름 및 식별자
- 우선 이름
- Unii-YU54far97X
- IUPAC
- acetic acid;[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-5-carbamimidamido-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-[(2S)-1-hydroxy-3-oxopropan-2-yl]-phosphonoazanium
- 영어명
- Forigerimod acetate
- 분자식
- C119H185N34O34PS
- 분자량
- 2699.03
이름 및 동의어
UNII-YU54FAR97XL-Tyrosine, L-arginyl-L-isoleucyl-L-histidyl-L-methionyl-L-valyl-L-tyrosyl-L-seryl-L-lysyl-L- arginyl-O-phosphono-L-serylglycyl-L-lysyl-L-prolyl-L-arginylglycyl-L-tyrosyl-L-alanyl-L- phenylalanyl-L-isoleucyl-L-alpha-glutamyl-, acetate (1:?)O(sup 3,140)-Phosphono(human U1 small nuclear ribonucleoprotein 70 kDa (snRNP70))-(131-151)-peptide acetate saltForigerimod acetate
데이터베이스 식별자
- CAS
1160237-55-7- PubChem CID
- 56843544
물성
구조 계산 물성
- 극성 표면적
- 1,150 Ų
- 수소 결합 공여자 수
- 41
- 수소 결합 수용자 수
- 43
- 회전 가능 결합 수
- 88
- 무거운 원자 수
- 189
- 형식 전하
- 1
- 복잡도
- 5,750
화학 및 산업
공급사6 곳
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
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