Name: | PHALLISIN |
CAS: | 19774-69-7 |
Synonyms: | PHALLISIN |
MDL.: | MFCD01747014 |
H bond acceptor: | 20 |
H bond donor: | 12 |
Smile: | C[C@H]1C(=O)N[C@H]2Cc3c4ccccc4[nH]c3SC[C@@H](C(=O)N5C[C@H](C[C@H]5C(=O)N1)O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC2=O)CC(CO)(CO)O)C)C(C)O |
InChi: | InChI=1S/C35H48N8O12S/c1-15-27(48)38-22-9-20-19-6-4-5-7-21(19)41-33(20)56-12-24(34(54)43-11-18(47)8-25(43)31(52)37-15)40-32(53)26(17(3)46)42-28(49)16(2)36-30(51)23(39-29(22)50)10-35(55,13-44)14-45/h4-7,15-18,22-26,41,44-47,55H,8-14H2,1-3H3,(H,36,51)(H,37,52)(H,38,48)(H,39,50)(H,40,53)(H,42,49)/t15-,16+,17?,18-,22-,23-,24-,25-,26+/m0/s1 |
InChiKey: | InChIKey=SRDQDZSLNAKOIT-QSRMUSDWSA-N |
PHALLISIN
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