Trichodermide D
AlkaPlorer ID: AK039908
Synonym: None
IUPAC Name: (2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-N-[(2S,3S)-1-[[(2S)-1-[[1-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pentanediamide
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CCC(=N)O)N=C(O)C(C)(C)N=C(C)O)C(O)=N[C@H](C(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=N[C@@H](CC(C)C)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=N[C@H](CO)C(C)C)[C@@H](C)CC)C(C)C
InChI: InChI=1S/C57H100N12O13/c1-18-33(9)43(49(77)59-37(28-30(3)4)46(74)66-56(14,15)53(81)68-26-20-22-39(68)47(75)60-38(29-70)31(5)6)64-48(76)40-23-21-27-69(40)54(82)57(16,17)67-51(79)42(32(7)8)62-50(78)44(34(10)19-2)63-45(73)36(24-25-41(58)72)61-52(80)55(12,13)65-35(11)71/h30-34,36-40,42-44,70H,18-29H2,1-17H3,(H2,58,72)(H,59,77)(H,60,75)(H,61,80)(H,62,78)(H,63,73)(H,64,76)(H,65,71)(H,66,74)(H,67,79)/t33-,34-,36-,37-,38+,39-,40-,42-,43-,44-/m0/s1
InChIKey: GNPWSZMDKPTDLE-YFGUJFNBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma virens | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1161.497999999999
TPSA？: 398.24000000000007
MolLogP？: 8.90227000000001
Number of H-Donors: 12
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|