sodium (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethylamino]-5-oxopentanoic acid
sodium (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethylamino]-5-oxopentanoic acid · CAS 910661-33-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- sodium (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethylamino]-5-oxopentanoic acid
- CAS
- 910661-33-5
- CID
- 137303717
- IUPAC 名称
- sodium (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethylamino]-5-oxopentanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- sodium (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethylamino]-5-oxopentanoic acid
- CAS
- 910661-33-5
- CID
- 137303717
- IUPAC 名称
- sodium (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethylamino]-5-oxopentanoic acid
分子属性
- 分子式
- C42H36N10NaO10S+
- 分子量
- 895.9 g/mol
- 精确质量
- 895.22342784 Da
- 单同位素质量
- 895.22342784 Da
- XLogP
- 暂无
- 极性表面积
- 333 Ų
- 氢键供体
- 10
- 氢键受体
- 15
- 可旋转键
- 13
- 重原子数
- 64
- 净电荷
- 1
- 结构复杂度
- 1740
结构标识
- InChIKey
- MNSDNHVYFRRWJX-CZCBIWLKSA-N
- SMILES
- C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)NCCNC(=S)NC2=CC3=C(C=C2)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC3=O)C(=O)O)NCC7=CN=C8C(=N7)C(=O)NC(=N8)N.[Na+]
- InChI
- InChI=1S/C42H36N10O10S.Na/c43-40-51-35-34(37(57)52-40)48-23(19-47-35)18-46-21-3-1-20(2-4-21)36(56)50-30(38(58)59)11-12-33(55)44-13-14-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42;/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H,44,55)(H,50,56)(H,58,59)(H2,45,49,63)(H3,43,47,51,52,57);/q;+1/t30-;/m0./s1