401513-39-1 (N-Acetyl-heparin,N-Acetyl-heparin)

CAS号:
401513-39-1
中文名称:
N-Acetyl-heparin
英文名称:
N-Acetyl-heparin
分子式:
C30H43N2Na4O31S3
分子量:
1115.81131196022

N-Acetyl-heparin(401513-39-1)名称与标识符

标识符

InChIKey:
QEZNLARJERSVRZ-AFVFNALDSA-I
Inchi:
1S/C30H48N2O31S3.4Na/c1-7-14(35)16(37)22(24(56-7)26(40)41)60-28-12(31-8(2)33)15(36)19(10(57-28)5-54-64(44,45)46)59-30-18(39)17(38)23(25(62-30)27(42)43)61-29-13(32-9(3)34)21(63-66(50,51)52)20(53-4)11(58-29)6-55-65(47,48)49;;;;/h7,10-25,28-30,35-39H,5-6H2,1-4H3,(H,31,33)(H,32,34)(H,40,41)(H,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-5/t7-,10?,11?,12?,13?,14+,15+,16?,17+,18?,19+,20+,21+,22-,23-,24?,25?,28+,29+,30+;;;;/m0..../s1
SMILES:
[Na+].CO[C@H]1[C@H](OS(=O)(=O)[O-])C(NC(=O)C)[C@@H](O[C@@H]2C(C(=O)[O-])O[C@@H](O[C@@H]3C(COS(=O)(=O)[O-])O[C@H](O[C@@H]4C(C(=O)[O-])O[C@@H](C)[C@@H](O)C4O)C(NC(=O)C)[C@H]3O)C(O)[C@H]2O)OC1COS(=O)(=O)[O-].[Na+].[Na+].[Na+]