Basic Information |
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Product Name: | VERTICILLIN A |
CAS: | 12795-76-5 |
English Synonyms: | VERRUPECTIN ; VERTICILLIN A |
MDL Number.: | MFCD01675262 |
H bond acceptor: | 12 |
H bond donor: | 4 |
Smile: | C[C@]12C(=O)N3[C@@H]4[C@](c5ccccc5N4)([C@@H]([C@]3(C(=O)N1C)SS2)O)[C@]67c8ccccc8N[C@@H]6N9C(=O)[C@]1(N(C(=O)[C@@]9([C@H]7O)SS1)C)C |
InChi: | InChI=1S/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25-,26-,27-,28-,29+,30+/m0/s1 |
InChiKey: | InChIKey=IMGTYEJTVRXGLW-HSVMCGIDSA-N |
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