Grassystatin F
AlkaPlorer ID: AK110479
Synonym: None
IUPAC Name: methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[(2S)-2-(dimethylamino)-3-phenylpropanoyl]oxypropanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)C[C@H](O)[C@H](CC(C)C)N=C(O)[C@H](CCC(=N)O)N(C)C(=O)[C@H](CC(C)C)N=C(O)[C@H](C)OC(=O)[C@H](CC1=CC=CC=C1)N(C)C)C(O)=N[C@@H](C)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)OC
InChI: InChI=1S/C59H91N9O13/c1-14-37(6)51(54(74)61-38(7)55(75)67(12)46(32-40-22-17-15-18-23-40)57(77)68-29-21-26-45(68)58(78)80-13)64-50(71)34-48(69)42(30-35(2)3)62-53(73)44(27-28-49(60)70)66(11)56(76)43(31-36(4)5)63-52(72)39(8)81-59(79)47(65(9)10)33-41-24-19-16-20-25-41/h15-20,22-25,35-39,42-48,51,69H,14,21,26-34H2,1-13H3,(H2,60,70)(H,61,74)(H,62,73)(H,63,72)(H,64,71)/t37-,38-,39-,42-,43-,44-,45-,46+,47-,48-,51-/m0/s1
InChIKey: FVCUETVFTFPUEO-CHLGYZHBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cancer | Cancridae | Decapoda | Malacostraca | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1134.427
TPSA？: 311.44
MolLogP？: 6.676770000000015
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 3