Micrococcin P2
AlkaPlorer ID: AK119426
Synonym: None
IUPAC Name: 2-[2-[(12S,19S,26Z,29S)-26-ethylidene-14,21,28,31-tetrahydroxy-12,29-bis[(1R)-1-hydroxyethyl]-19-propan-2-yl-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),13,15,18(37),20,22,25(36),27,30,32-pentadecaen-5-yl]-1,3-thiazol-4-yl]-N-[(Z)-1-hydroxy-1-(2-oxopropylimino)but-2-en-2-yl]-1,3-thiazole-4-carboximidic acid
Structure
SMILES: C/C=C(\N=C(O)C1=CSC(C2=CSC(C3=CC=C4C5=NC(=CS5)C(O)=N[C@@H]([C@@H](C)O)C(O)=N/C(=C\C)C5=NC(=CS5)C(O)=N[C@@H](C(C)C)C5=NC(=CS5)C(O)=N[C@@H]([C@@H](C)O)C5=NC(=CS5)C4=N3)=N2)=N1)C(O)=NCC(C)=O
InChI: InChI=1S/C48H47N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-19,21-22,33-35,63-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b24-8-,25-9-/t21-,22-,33+,34+,35+/m1/s1
InChIKey: XLMXLFRJEYNHMO-RRXYFVOQSA-N
Reference
The structures of the highly modified peptide antibiotics micrococcin P1 and P2
PubChem CID: 163189317
LOTUS: LTS0204907
{NPAtlas: NPA024665
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pumilus | Kraussinidae | Terebratulida | Rhynchonellata | Brachiopoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1142.3879999999997
TPSA？: 343.29999999999995
MolLogP？: 9.756000000000006
Number of H-Donors: 8
Number of H-Acceptors: 22
RingCount: 8