(2S,4R)-N-[(1R)-2-[[2-[[(1R)-1-(aminomethyl)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[4-(4-methylthiazol-5-yl)phenyl]-2-oxo-ethyl]-1-[(2S)-2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide
(2S,4R)-N-[(1R)-2-[[2-[[(1R)-1-(aminomethyl)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[4-(4-methylthiazol-5-yl)phenyl]-2-oxo-ethyl]-1-[(2S)-2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide · CAS 2756687-94-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2S,4R)-N-[(1R)-2-[[2-[[(1R)-1-(aminomethyl)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[4-(4-methylthiazol-5-yl)phenyl]-2-oxo-ethyl]-1-[(2S)-2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide
- CAS
- 2756687-94-0
- CID
- 169549918
- IUPAC 名称
- N-[2-[[2-[[3-amino-1-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]-1-[2-[(2-chloroacetyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2S,4R)-N-[(1R)-2-[[2-[[(1R)-1-(aminomethyl)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[4-(4-methylthiazol-5-yl)phenyl]-2-oxo-ethyl]-1-[(2S)-2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide
- CAS
- 2756687-94-0
- CID
- 169549918
- IUPAC 名称
- N-[2-[[2-[[3-amino-1-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxoethyl]-1-[2-[(2-chloroacetyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
同一物质的其他登记号
同一化合物在 CAS 登记体系中可能有多个登记号，均属官方正式登记。以下 6 个编号（PubChem CID 169549918）指向同一物质，可逐一核对——编号写法不同，但化学结构相同。
- 2756687-63-3(2S,4R)-N-[(1R)-2-[[2-[[(1R)-1-(aminomethyl)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[4-(4-methylthiazol-5-yl)phenyl]-2-oxo-ethyl]-1-[(2S)-2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide
- 2756687-64-4(2S,4R)-N-[(1R)-2-[[2-[[(1R)-1-(aminomethyl)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[4-(4-methylthiazol-5-yl)phenyl]-2-oxo-ethyl]-1-[(2S)-2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide
- 2756687-78-0(2S,4R)-N-[(1R)-2-[[2-[[(1R)-1-(aminomethyl)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[4-(4-methylthiazol-5-yl)phenyl]-2-oxo-ethyl]-1-[(2S)-2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide
- 2756687-79-1(2S,4R)-N-[(1R)-2-[[2-[[(1R)-1-(aminomethyl)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[4-(4-methylthiazol-5-yl)phenyl]-2-oxo-ethyl]-1-[(2S)-2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide
- 2756687-94-0（当前页）
- 2756687-97-3(2S,4R)-N-[(1R)-2-[[2-[[(1R)-1-(aminomethyl)-2-[[(1R)-2-amino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-[4-(4-methylthiazol-5-yl)phenyl]-2-oxo-ethyl]-1-[(2S)-2-[(2-chloroacetyl)amino]-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide
本物质主页面为 CAS 2756687-63-3。
分子属性
- 分子式
- C33H46ClN9O8S2
- 分子量
- 796.4 g/mol
- 精确质量
- 795.2599295 Da
- 单同位素质量
- 795.2599295 Da
- XLogP
- -0.5
- 极性表面积
- 297 Ų
- 氢键供体
- 9
- 氢键受体
- 12
- 可旋转键
- 17
- 重原子数
- 53
- 净电荷
- 0
- 结构复杂度
- 1350
结构标识
- InChIKey
- CCCXKRCMPDOFCF-UHFFFAOYSA-N
- SMILES
- CC1=C(SC=N1)C2=CC=C(C=C2)C(C(=O)NCC(=O)NC(CN)C(=O)NC(CS)C(=O)N)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCl)O
- InChI
- InChI=1S/C33H46ClN9O8S2/c1-16-26(53-15-38-16)18-7-5-17(6-8-18)25(31(50)37-12-24(46)39-20(11-35)29(48)40-21(14-52)28(36)47)42-30(49)22-9-19(44)13-43(22)32(51)27(33(2,3)4)41-23(45)10-34/h5-8,15,19-22,25,27,44,52H,9-14,35H2,1-4H3,(H2,36,47)(H,37,50)(H,39,46)(H,40,48)(H,41,45)(H,42,49)