기본 정보
- CAS
51759-76-3- 표준 SMILES
CC(C)CC(NC(=O)C(NC(=O)NC(Cc1ccccc1)C(=O)O)C1CCN=C(N)N1)C(=O)NC(C=O)Cc1ccccc1- InChIKey
MRXDGVXSWIXTQL-UHFFFAOYSA-N- 분자식
- C31H41N7O6
- 평균 분자량
- 607.7 g/mol
- 단동위원소 질량
- 607.31183203
이름 및 식별자
- 우선 이름
- L-2-(2-Amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-(((alpha-carboxyphenethyl)amino)carbonyl)glycyl-N-(alpha-formylphenethyl)-L-leucinamide, stereoisomer
- IUPAC
- 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acid
- 영어명
- L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(alpha-carboxyphenethyl)amino]carbonyl]glycyl-N-(alpha-formylphenethyl)-L-leucinamide, stereoisomer
- 분자식
- C31H41N7O6
- 분자량
- 607.7
이름 및 동의어
51759-76-3EINECS 257-382-9L-2-(2-Amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-(((alpha-carboxyphenethyl)amino)carbonyl)glycyl-N-(alpha-formylphenethyl)-L-leucinamide, stereoisomerL-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(alpha-carboxyphenethyl)amino]carbonyl]glycyl-N-(alpha-formylphenethyl)-L-leucinamide, stereoisomerRefChem:350541257-382-92-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-phenylpropanoic acidC31H41N7O6ICY-4063Chymostatin (0.5 mg vial)n-{[1-(2-amino-3,4,5,6-tetrahydropyrimidin-4-yl)-2-({4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl}amino)-2-oxoethyl]carbamoyl}phenylalanineSCHEMBL14029469
이름 더 보기
Chymostatin A2-[(2-Amino-1,4,5,6-tetrahydropyrimidin)-4-yl]-N-[[(1-carboxy-2-phenylethyl)amino]carbonyl]-L-Gly-N-(1-formyl-2-phenylethyl)-L-Leu-NH2
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 204 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.75 · 3.75±0.10(Predicted)
화학 및 산업
공급사1 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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