Friulimicin; Friulimicin D, 4'-Parent acid
AlkaPlorer ID: AK298662
Synonym: Aspartocin B, Aspartomycin, Crystallomycin 2, Tsushimycin B, A 1437G, Antibiotic A 1437G
IUPAC Name: 4-[[16-(1-aminoethyl)-31-(1-carboxyethyl)-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[(Z)-12-methyltetradec-3-enoyl]amino]-4-oxobutanoic acid
Structure
SMILES: CCC(C)CCCCCCC/C=C\CC(=O)NC(CC(=O)O)C(=O)NC1C(=O)N2CCCCC2C(=O)NC(C(C)C(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(C)N)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC1C
InChI: InChI=1S/C60H95N13O20/c1-8-32(4)20-15-13-11-9-10-12-14-16-23-41(74)65-38(28-46(81)82)53(85)71-50-35(7)64-54(86)40-22-19-25-73(40)58(90)47(31(2)3)69-57(89)49(34(6)61)68-43(76)30-63-51(83)36(26-44(77)78)66-42(75)29-62-52(84)37(27-45(79)80)67-56(88)48(33(5)60(92)93)70-55(87)39-21-17-18-24-72(39)59(50)91/h14,16,31-40,47-50H,8-13,15,17-30,61H2,1-7H3,(H,62,84)(H,63,83)(H,64,86)(H,65,74)(H,66,75)(H,67,88)(H,68,76)(H,69,89)(H,70,87)(H,71,85)(H,77,78)(H,79,80)(H,81,82)(H,92,93)/b16-14-
InChIKey: SCCPTOBJYIMDSI-PEZBUJJGSA-N
Source
Properties Information
Molecule Weight: 1318.4910000000002
TPSA？: 506.83999999999975
MolLogP？: -2.6261000000000223
Number of H-Donors: 15
Number of H-Acceptors: 17
RingCount: 3
Activities Information
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