Free release

MYCOBACILLIN

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Name: MYCOBACILLIN
CAS: 18524-67-9
Synonyms: MYCOBACILLIN
MDL.: MFCD00211116
H bond acceptor: 43
H bond donor: 22
Smile: C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CC(=O)N[C@@H](C(=O)N1)CC(=O)O)C(=O)O)CC(C)C)CC(=O)O)CO)Cc3ccc(cc3)O)CC(=O)O)Cc4ccc(cc4)O)C(=O)O)CC(=O)O)CC(=O)O
InChi: InChI=1S/C63H81N13O30/c1-26(2)15-32-53(94)73-40(62(103)104)19-45(81)66-35(20-46(82)83)52(93)64-27(3)51(92)72-39(24-50(90)91)61(102)76-14-4-5-43(76)60(101)71-38(23-49(88)89)58(99)74-41(63(105)106)18-44(80)65-33(16-28-6-10-30(78)11-7-28)54(95)69-36(21-47(84)85)57(98)68-34(17-29-8-12-31(79)13-9-29)55(96)75-42(25-77)59(100)70-37(22-48(86)87)56(97)67-32/h6-13,26-27,32-43,77-79H,4-5,14-25H2,1-3H3,(H,64,93)(H,65,80)(H,66,81)(H,67,97)(H,68,98)(H,69,95)(H,70,100)(H,71,101)(H,72,92)(H,73,94)(H,74,99)(H,75,96)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,103,104)(H,105,106)/t27-,32-,33-,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-/m0/s1
InChiKey: InChIKey=JAGUTBVVGCQJJR-LCSCCCGLSA-N

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