Aspartocin D

Aspartocin D is a lipopeptide antibiotic originally isolated from S. canus FIM0916. It has activity against Gram-positive bacteria, including B. subtilis and S. aureus (MICs = 0.125 and 0.5 µg/ml, respectively). The antibiotic activity is calcium-dependent, with MICs ranging from 0.06-4 and 0.25-8 µg/ml for B. subtilis and S. aureus, respectively, in the presence of higher (2.5 mM) to lower (0.125 mM) calcium concentrations.Formal Name: N-[(3Z)-10-methyl-1-oxo-3-undecen-1-yl]-L-alpha-aspartyl-(2S,3R)-2,3-diaminobutanoyl-(2R)-2-piperidinecarbonyl-(3S)-3-methyl-L-alpha-aspartyl-L-alpha-aspartylglycyl-L-alpha-aspartylglycyl-(2R,3R)-2,3-diaminobutanoyl-L-valyl-L-proline (11->2)-lactam. CAS Number: 1211953-97-7. Molecular Formula: C57H89N13O20. Formula Weight: 1276.4. Purity: >85%. Formulation: (Request formulation change), A solid. Solubility: DMF: soluble, DMSO: soluble, Ethanol: soluble, Methanol: soluble. SMILES: O=C([C@H]([C@H](NC([C@@](CCC1)([H])N1C([C@@H](NC([C@@](NC2=O)([H])[C@H](N)C)=O)C(C)C)=O)=O)C)NC([C@H](CC(O)=O)NC(C/C=C\CCCCCC(C)C)=O)=O)N(CCCC3)[C@@]3([H])C(N[C@@](C(N[C@H](C(NCC(N[C@H](C(NC2)=O)CC(O)=O)=O)=O)CC(O)=O)=O)([H])[C@H](C)C(O)=O)=O. InChi Code: InChI=1S/C57H89N13O20/c1-28(2)17-12-10-8-9-11-13-20-38(71)62-35(25-43(78)79)50(82)68-47-32(7)61-51(83)37-19-16-22-70(37)55(87)44(29(3)4)66-54(86)46(31(6)58)65-40(73)27-60-48(80)33(23-41(74)75)63-39(72)26-59-49(81)34(24-42(76)77)64-53(85)45(30(5)57(89)90)67-52(84)36-18-14-15-21-69(36)56(47)88/h11,13,28-37,44-47H,8-10,12,14-27,58H2,1-7H3,(H,59,81)(H,60,80)(H,61,83)(H,62,71)(H,63,72)(H,64,85)(H,65,73)(H,66,86)(H,67,84)(H,68,82)(H,74,75)(H,76,77)(H,78,79)(H,89,90)/b13-11-/t30-,31+,32+,33-,34-,35-,36+,37-,44-,45-,46+,47-/m0/s1. InChi Key: YHIXQCPAIOGTGT-GIOMGZJDSA-N.