Apramide A
AlkaPlorer ID: AK027060
Synonym: None
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-methoxyphenyl)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-2-methyloct-7-ynoyl]amino]propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
Structure
SMILES: C#CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](CC1=CC=C(OC)C=C1)C(=O)N(C)CC1=NC=CS1)C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C52H80N8O8S/c1-17-18-19-20-22-36(8)46(61)55(11)37(9)47(62)57(13)45(35(6)7)52(67)60-29-21-23-40(60)49(64)58(14)44(34(4)5)51(66)59(15)43(33(2)3)50(65)56(12)41(31-38-24-26-39(68-16)27-25-38)48(63)54(10)32-42-53-28-30-69-42/h1,24-28,30,33-37,40-41,43-45H,18-23,29,31-32H2,2-16H3/t36-,37+,40+,41+,43+,44+,45+/m1/s1
InChIKey: DFHDGRZCTHONRC-RBFNLMEMSA-N
Reference
PubChem CID: 10653516
LOTUS: LTS0185787
SuperNatural Ⅲ: SN0064211-01
NPASS: NPC215595
{NPAtlas: NPA019502
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya majuscula | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 977.3269999999998
TPSA？: 164.29000000000002
MolLogP？: 5.296400000000013
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Carica papaya | Papain | Activity | None | None | 10.1021/np000078t |
| Homo sapiens | KB | Activity | None | None | 10.1021/np000078t |
| Homo sapiens | LoVo | Activity | None | None | 10.1021/np000078t |
| Homo sapiens | Thrombin | Activity | None | None | 10.1021/np000078t |
| None | Unchecked | Activity | None | None | 10.1021/np000078t |