N2-(3-하이드록시-8-메틸-1-옥소데실)-D-Asn-D-Val-D-Phe-L-Asn-D-Asn-L-Lys-D-aThr-Gly-D-Trp-D-aIle-OH
(2R,3S)-2-[[(2R)-2-[[2-[[(2R,3R)-2-[[(2S)-6-amino-2-[[(2R)-4-amino-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-4-amino-2-[(3-hydroxy-8-methyldecanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid
기본 정보
- CAS
70943-87-2- 표준 SMILES
CCC(C)CCCCC(O)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C- InChIKey
AHAZEMDQNBAXRV-GHSQJYIXSA-N- 분자식
- C66H101N15O17
- 평균 분자량
- 1,376.6 g/mol
- 단동위원소 질량
- 1,375.74998681
이름 및 식별자
- 우선 이름
- (2R,3S)-2-[[(2R)-2-[[2-[[(2R,3R)-2-[[(2S)-6-amino-2-[[(2R)-4-amino-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-4-amino-2-[(3-hydroxy-8-methyldecanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid
- IUPAC
- (2R,3S)-2-[[(2R)-2-[[2-[[(2R,3R)-2-[[(2S)-6-amino-2-[[(2R)-4-amino-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-4-amino-2-[(3-hydroxy-8-methyldecanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid
- 현지명
- N2-(3-하이드록시-8-메틸-1-옥소데실)-D-Asn-D-Val-D-Phe-L-Asn-D-Asn-L-Lys-D-aThr-Gly-D-Trp-D-aIle-OH
- 영어명
- N2-(3-Hydroxy-8-methyl-1-oxodecyl)-D-Asn-D-Val-D-Phe-L-Asn-D-Asn-L-Lys-D-aThr-Gly-D-Trp-D-aIle-OH
- 분자식
- C66H101N15O17
- 분자량
- 1376.59844
이름 및 동의어
N2-(3-하이드록시-8-메틸-1-옥소데실)-D-Asn-D-Val-D-Phe-L-Asn-D-Asn-L-Lys-D-aThr-Gly-D-Trp-D-aIle-OHCerexin D3Cerexin D3 (9CI)N2-(3-Hydroxy-8-methyl-1-oxodecyl)-D-Asn-D-Val-D-Phe-L-Asn-D-Asn-L-Lys-D-aThr-Gly-D-Trp-D-aIle-OH
데이터베이스 식별자
- CAS
70943-87-2- PubChem CID
- 102093914
- Nikkaji
- J91.977B
물성
구조 계산 물성
- XLogP
- -2.3
- 극성 표면적
- 540 Ų
- 수소 결합 공여자 수
- 18
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 46
- 무거운 원자 수
- 98
- 형식 전하
- 0
- 복잡도
- 2,680
물리화학적 성질
- 끓는 점
- 1761.5 · 1761.5±65.0 °C(Predicted)
- 밀도
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.4 · 3.40±0.10(Predicted)
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