![(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide structure](/static/products/4029/402957-11-3.webp)
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
概要：(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide（CAS 402957-11-3）是一种化学化合物，分子式为C31H49N9O6，分子量为643.38 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务，支持克级到吨级规格。
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
又称：(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide, (1S,3aR,6aS)-N-[1-(Cyclopropylamino)-1,2-dioxohexan-3-yl]-2-{N-[(2H-tetrazol-5-yl)acetyl]-L-valyl-3-methyl-L-valyl}octahydrocyclopenta[c]pyrrole-1-carboxamide, Cyclopenta[c]pyrrole-1-carboxamide, N-(1H-tetrazol-5-ylacetyl)-L-valyl-3-methyl-L-valyl-N-[1-[(cyclopropylamino)oxoacetyl]butyl]octahydro-, (1S,3aR,6aS)- (9CI)
| 分子式 | C31H49N9O6 |
|---|---|
| 分子量 | 643.38 g/mol |
| LogP | 2.5 |
| 拓扑极性表面积 | 208.0 Ų |
| 氢键供体数 | 5 |
| 氢键受体数 | 9 |
| 可旋转键数 | 15 |
| 精确质量 | 643.38055 |
| 重原子数 | 46 |
| 复杂度 | 1170.0 |
化学标识符
| CAS 编号 | 402957-11-3 |
|---|---|
| SMILES | CCCC(C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC4=NNN=N4 |
| InChIKey | VAMMLEKHQBXQFC-TTYJVJDTSA-N |
产品概述
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide（CAS 402957-11-3），分子式为C31H49N9O6，分子量为643.38 g/mol。IUPAC名：(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide。
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide化学性质概览
属性洞察：(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide的XLogP值为2.5，表明具有中等亲脂性，在水溶性和膜透过性之间取得平衡。 TPSA为208.0 Ų，极性较高，提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则，(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide有5个氢键供体和9个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide的CAS号是多少？
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide的CAS号为402957-11-3。
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide的分子式是什么？
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide的分子式为C31H49N9O6。
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide的分子量是多少？
(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide的分子量为643.38 g/mol。
在哪里可以购买(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide？
您可以直接向科弘生物询价(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide的定制合成服务？
是的，科弘生物提供(3S,3aS,6aR)-N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide及相关化合物的定制合成服务。请联系我们并告知您的具体需求，包括数量、纯度和交期。