Ohmyungsamycin A
AlkaPlorer ID: AK011171
Synonym: None
IUPAC Name: (2S)-N-[(2S)-1-[[(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,31R)-27-[(1R)-1-hydroxyethyl]-6-[(R)-hydroxy(phenyl)methyl]-12-[(4-methoxy-1H-indol-3-yl)methyl]-13,16,22,28,31-pentamethyl-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,15,18,24-penta(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
Structure
SMILES: CN[C@H](C(O)=N[C@H](C(O)=N[C@@H]1C(=O)N(C)[C@@H]([C@@H](C)O)C(O)=N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)=N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CNC3=CC=CC(OC)=C23)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H]([C@H](O)C2=CC=CC=C2)C(O)=N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C)C(C)C
InChI: InChI=1S/C75H119N13O16/c1-36(2)33-49-64(91)80-57(41(11)12)72(99)87(22)61(43(15)16)74(101)86(21)50(34-47-35-77-48-31-28-32-51(103-24)52(47)48)65(92)78-54(38(5)6)68(95)84-60(63(90)46-29-26-25-27-30-46)69(96)82-58(42(13)14)75(102)104-45(18)59(83-67(94)55(39(7)8)79-66(93)53(76-19)37(3)4)73(100)88(23)62(44(17)89)70(97)81-56(40(9)10)71(98)85(49)20/h25-32,35-45,49-50,53-63,76-77,89-90H,33-34H2,1-24H3,(H,78,92)(H,79,93)(H,80,91)(H,81,97)(H,82,96)(H,83,94)(H,84,95)/t44-,45-,49+,50+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-/m1/s1
InChIKey: LPGQEQIUSHQVNJ-FNWLGHLBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1458.851999999999
TPSA？: 413.1800000000001
MolLogP？: 8.588500000000021
Number of H-Donors: 11
Number of H-Acceptors: 17
RingCount: 4