기본 정보
- CAS
278598-52-0- 표준 SMILES
Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(C(N)=O)CC2)cc1)C(=O)O- InChIKey
RZMCXMNNXGCFQG-DQEYMECFSA-N- 분자식
- C31H40N4O8
- 평균 분자량
- 596.7 g/mol
- 단동위원소 질량
- 596.28461425
이름 및 식별자
- 우선 이름
- GW-559090
- IUPAC
- (2S)-3-[4-(4-carbamoylpiperidine-1-carbonyl)oxyphenyl]-2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid
이름 및 동의어
UNII-H9W4YH429KGw-559090(free acid)GW-559090H9W4YH429K278598-52-0(2S)-3-(4-(4-Carbamoylpiperidine-1-carbonyl)oxyphenyl)-2-(((2S)-4-methyl-2-((2-(2-methylphenoxy)acetyl)amino)pentanoyl)amino)propanoic acidL-Tyrosine, N-((2-methylphenoxy)acetyl)-L-leucyl-, 4-(aminocarbonyl)-1-piperidinecarboxylate (ester)(2S)-3-[4-(4-carbamoylpiperidine-1-carbonyl)oxyphenyl]-2-[[(2S)-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]pentanoyl]amino]propanoic acid(2S)-3-(4-(4-carbamoylpiperidine-1-carbonyloxy)phenyl)-2-((2S)-4-methyl-2-(2-(2-methylphenoxy)acetamido)pentanamido)propanoic acid(2S)-3-[4-(4-carbamoylpiperidine-1-carbonyloxy)phenyl]-2-[(2S)-4-methyl-2-[2-(2-methylphenoxy)acetamido]pentanamido]propanoic acidRefChem:144817SCHEMBL598356
이름 더 보기
orb3174957SCHEMBL29371746RZMCXMNNXGCFQG-DQEYMECFSA-NGW559090XDB06508(2s)-3-[4-({[4-(aminocarbonyl)-1-piperidinyl]carbonyl} oxy) phenyl]-2-[((2s)-4-methyl-2-{[2-(2-methylphenoxy)acetyl]amino}pentanoyl) amino] propanoic acid(2s)-3-[4-({[4-(aminocarbonyl)-1-piperidinyl]carbonyl}oxy)phenyl]-2-[((2s)-4-methyl-2-{[2-(2-methylphenoxy)acetyl]amino}pentanoyl)amino]propanoic acid
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 177 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 959
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