Mirabamide F
AlkaPlorer ID: AK092027
Synonym: None
IUPAC Name: (2R,3S,4S)-4-[[(2S,3S)-3-amino-2-[[(Z)-2-[[2-[[(4Z,6E)-3-hydroxy-2,6,8-trimethyldeca-4,6-dienoyl]amino]acetyl]amino]but-2-enoyl]amino]butanoyl]amino]-N'-[(3R,6S,9S,15R,18R,19R,22S,24S)-24-chloro-6-[(1R)-1-hydroxyethyl]-15-(methoxymethyl)-3-[(R)-methoxy-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]methyl]-7,9-dimethyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide
Structure
SMILES: C/C=C(\N=C(O)CN=C(O)C(C)C(O)/C=C\C(C)=C\C(C)CC)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@H]1C(O)=N[C@H](COC)C(O)=NCC(O)=N[C@@H](C)C(=O)N(C)[C@@H]([C@@H](C)O)C(O)=N[C@H]([C@H](OC)C2=CC=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2)C(=O)N2CC[C@H](Cl)C[C@H]2C(=O)O[C@@H]1C(C)C)[C@@H](C)[C@@H](C)C(=N)O)[C@H](C)N
InChI: InChI=1S/C72H112ClN13O23/c1-17-33(5)27-34(6)19-24-48(88)37(9)62(95)76-30-50(90)79-45(18-2)64(97)82-52(38(10)74)66(99)81-51(35(7)36(8)61(75)94)65(98)83-53-59(32(3)4)109-71(104)47-28-43(73)25-26-86(47)70(103)54(60(106-16)42-20-22-44(23-21-42)108-72-58(93)57(92)56(91)41(13)107-72)84-68(101)55(40(12)87)85(14)69(102)39(11)78-49(89)29-77-63(96)46(31-105-15)80-67(53)100/h18-24,27,32-33,35-41,43,46-48,51-60,72,87-88,91-93H,17,25-26,28-31,74H2,1-16H3,(H2,75,94)(H,76,95)(H,77,96)(H,78,89)(H,79,90)(H,80,100)(H,81,99)(H,82,97)(H,83,98)(H,84,101)/b24-19-,34-27+,45-18-/t33?,35-,36+,37?,38-,39-,40+,41-,43-,46+,47-,48?,51-,52-,53+,54+,55-,56-,57+,58+,59+,60+,72-/m0/s1
InChIKey: FMEFONVJOKEKCD-FKSYTPMBSA-N
Reference
Mirabamides E−H, HIV-Inhibitory Depsipeptides from the Sponge <i>Stelletta clavosa</i>
PubChem CID: 51041751
LOTUS: LTS0215791
NPASS: NPC326333
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stelletta clavosa | Stelletta | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1563.2089999999996
TPSA？: 568.4000000000002
MolLogP？: 5.058470000000016
Number of H-Donors: 17
Number of H-Acceptors: 24
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 62.0 | nM | 10.1021/np100613p |