Ac-Met-Trp-Asp-Phe-Asp-Asp-Leu-Asn-Phe-Thr-Gly-Met-Pro-Pro-Ala-Asp-Glu-Asp-Tyr-Ser-Pro-NH2
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기본 정보
- CAS
188689-66-9- 표준 SMILES
CSCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O- InChIKey
XKTZWUACRZHVAN-NRDBOQQFSA-N- 분자식
- C112H150N24O38S2
- 평균 분자량
- 2,504.7 g/mol
- 단동위원소 질량
- 2,502.9984288
이름 및 식별자
- 우선 이름
- Ac-Met-Trp-Asp-Phe-Asp-Asp-Leu-Asn-Phe-Thr-Gly-Met-Pro-Pro-Ala-Asp-Glu-Asp-Tyr-Ser-Pro-NH2
- IUPAC
- (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- 영어명
- AC-MET-TRP-ASP-PHE-ASP-ASP-LEU-ASN-PHE-THR-GLY-MET-PRO-PRO-ALA-ASP-GLU-ASP-TYR-SER-PRO-NH2
- 분자식
- C112H150N24O38S2
- 분자량
- 2504.66
이름 및 동의어
CHEMBL410765188689-66-9IL-8ra (9-29)BDBM50213962Ac-Met-Trp-Asp-Phe-Asp-Asp-Leu-Asn-Phe-Thr-Gly-Met-Pro-Pro-Ala-Asp-Glu-Asp-Tyr-Ser-Pro-NH2FI111070IL-8ra (9-29) (N-1585.0500)Interleukin-8ra (9-29)INTERLEUKIN-8 RECEPTOR ANTAGONIST (9-29)L-Prolinamide, N-acetyl-L-methionyl-L-tryptophyl-L-α-aspartyl-L-phenylalanyl-L-α-aspartyl-L-α-aspartyl-L-leucyl-L-asparaginyl-L-phenylalanyl-L-threonylglycyl-L-methionyl-L-prolyl-L-prolyl-L-alanyl-L-α-aspartyl-L-α-glutamyl-L-α-aspartyl-L-tyrosyl-L-seryl-
데이터베이스 식별자
- CAS
188689-66-9- PubChem CID
- 44298341
- ChEMBL
CHEMBL410765
물성
구조 계산 물성보충 중
- XLogP
- -5
- 극성 표면적
- 1,020 Ų
- 수소 결합 공여자 수
- 30
- 수소 결합 수용자 수
- 40
- 회전 가능 결합 수
- 72
- 무거운 원자 수
- 176
- 형식 전하
- 0
- 복잡도
- 5,780
물리화학적 성질
- 끓는 점
- 2586.9 · 2586.9±65.0 °C(Predicted)
- 밀도
- 1.421 · 1.421±0.06 g/cm3(Predicted)
- 저장 조건
- -15 °C · -15°C
관련 반응
0건
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