Caspofungin Impurity A

Synonyms : (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

Chemical Name: (10R,12S)-N-((2R,6S,9S,11R,12R,14aS,15S,20S,25aS)-20-((R)-3-Amino-1-hydroxypropyl)-12-((2-aminoethyl)amino)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,15-trihydroxy-6-(hydroxymethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide

Smiles: O=C([C@](NC(C(NC([C@@](C[C@@H](O)C1)([H])N1C2=O)=O)[C@H](O)[C@H](C3=CC=C(O)C=C3)O)=O)([H])[C@H](O)CCN)N(CC[C@@H]4O)[C@]4([H])C(N[C@H]([C@@H](C[C@@H](C(N[C@@]2([H])CO)=O)NC(CCCCCCCC[C@@H](C)C[C@@H](C)CC)=O)O)NCCN)=O

Inchi: InChI=1S/C17H23I2N3O8/c1-7(27)15(28)22-11-2-10(16(29)20-8(3-23)4-24)13(18)12(14(11)19)17(30)21-9(5-25)6-26/h2,7-9,23-27H,3-6H2,1H3,(H,20,29)(H,21,30)(H,22,28)/t7-/m0/s1