卡泊芬净杂质A(1202167-57-4)名称与标识符
名称
中文别名:
N-(4-(9-苯基-9H-咔唑-3-)苯基)-[1,1''-联苯基]-4-胺;N-(4-(9-苯基-9H-咔唑-3-)苯基)-[1,1-联苯基]-4-胺;卡泊芬净;卡泊芬净杂质;卡泊芬净杂质A;C卡泊芬净杂质A;卡泊芬净EP杂质A(RRT=0.98),2-丝氨酸卡泊芬净;醋酸卡泊芬净杂质A;
英文别名:
Caspofungin Impurity A;CID 131637964;Caspofungin Impurity 1;Caspofungin Impurity 1(Impurity A);N-((2R,6S,9S,11R,12S,14aS,15S,20S,23S,25aS);Caspofungin impurity 1/Caspofungin Impurity A/(3S)-(4R,5S)-5-[(2-aminoethyl)amino]-N2-[(10R,12S)-10,12-dimethyl-1-oxotetradecyl]-4-hydroxy-L-ornithyl-L-seryl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-(3R)-3-hydroxy-L-ornithyl-3;L-Proline, (4R,5S)-5-[(2-aminoethyl)amino]-N2-[(10R,12S)-10,12-dimethyl-1-oxotetradecyl]-4-hydroxy-L-ornithyl-L-seryl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-(3R)-3-hydroxy-L-ornithyl-3-hydroxy-, (6→15)-lactam, (3S)-;(3S)-(4R,5S)-5-[(2-Aminoethyl)amino]-N2-[(10R,12S)-10,12-dimethyl-1-oxotetradecyl]-4-hydroxy-L-ornithyl-L-seryl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-(3R)-3-hydroxy-L-ornithyl-3-hydroxy-L-proline;Caspofungin A;N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-(hydroxymethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide;EX-A3042;1202167-57-4;
标识符
InChIKey:
GINOBWNPZWJLMW-KYODTCIHSA-N
Inchi:
1S/C51H86N10O15/c1-4-28(2)23-29(3)11-9-7-5-6-8-10-12-39(68)55-33-25-38(67)45(54-21-20-53)59-49(74)42-37(66)18-22-60(42)51(76)40(36(65)17-19-52)57-48(73)41(44(70)43(69)30-13-15-31(63)16-14-30)58-47(72)35-24-32(64)26-61(35)50(75)34(27-62)56-46(33)71/h13-16,28-29,32-38,40-45,54,62-67,69-70H,4-12,17-27,52-53H2,1-3H3,(H,55,68)(H,56,71)(H,57,73)(H,58,72)(H,59,74)/t28?,29?,32-,33+,34+,35+,36-,37+,38-,40+,41+,42+,43+,44+,45+/m1/s1
SMILES:
O[C@H]1CCN2C([C@H]([C@@H](CCN)O)NC([C@H]([C@@H]([C@H](C3C=CC(=CC=3)O)O)O)NC([C@@H]3C[C@H](CN3C([C@H](CO)NC([C@H](C[C@H]([C@@H](NCCN)NC([C@@H]21)=O)O)NC(CCCCCCCCC(C)CC(C)CC)=O)=O)=O)O)=O)=O)=O