114625-81-9 (依他霉素A;N9德美,Etamycin A; N9-De-Me)

CAS号:
114625-81-9
中文名称:
依他霉素A;N9德美
英文名称:
Etamycin A; N9-De-Me
分子式:
C43H60N8O11
分子量:
864.983510971069

依他霉素A;N9德美(114625-81-9)名称与标识符

标识符

InChIKey:
AOOKVFYDJWRFLB-UHFFFAOYSA-N
Inchi:
1S/C43H60N8O11/c1-22(2)18-29-41(59)51-20-28(52)19-30(51)42(60)49(8)21-32(54)47-33(24(5)23(3)4)37(55)45-25(6)40(58)50(9)36(27-14-11-10-12-15-27)43(61)62-26(7)34(38(56)46-29)48-39(57)35-31(53)16-13-17-44-35/h10-17,22-26,28-30,33-34,36,52-53H,18-21H2,1-9H3,(H,45,55)(H,46,56)(H,47,54)(H,48,57)
SMILES:
CC(CC1C(=O)N2C(CC(C2)O)C(=O)N(C)CC(=O)NC(C(C(C)C)C)C(=O)NC(C)C(=O)N(C)C(C2C=CC=CC=2)C(=O)OC(C)C(NC(C2C(O)=CC=CN=2)=O)C(=O)N1)C