Harzianin PCU 4
AlkaPlorer ID: AK109656
Synonym: ''
IUPAC Name: (2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-N-[(2S)-1-[[1-[(2S)-2-[[(2S)-3-hydroxy-1-[[(2S,3S)-1-[[1-[(2S)-2-[[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]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)C(C)(C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(=N)O)N=C(O)C(C)(C)N=C(C)O)C(O)=NC(C)(C)C(=O)N1CCC[C@H]1C(O)=NC(C)(C)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
InChI: InChI=1S/C67H115N15O17/c1-20-38(8)49(74-51(88)44(34-84)71-55(92)46-25-22-28-81(46)60(97)65(14,15)76-52(89)40(30-35(2)3)69-50(87)42(32-48(68)86)73-58(95)63(10,11)75-39(9)85)57(94)79-67(18,19)62(99)82-29-23-26-47(82)56(93)78-64(12,13)59(96)72-41(31-36(4)5)53(90)77-66(16,17)61(98)80-27-21-24-45(80)54(91)70-43(33-83)37(6)7/h35-38,40-47,49,83-84H,20-34H2,1-19H3,(H2,68,86)(H,69,87)(H,70,91)(H,71,92)(H,72,96)(H,73,95)(H,74,88)(H,75,85)(H,76,89)(H,77,90)(H,78,93)(H,79,94)/t38-,40-,41-,42-,43+,44-,45-,46-,47-,49-/m0/s1
InChIKey: NIAXRVJIBJMWMW-FYPBULDSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma harzianum | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1402.7449999999992
TPSA？: 503.96000000000015
MolLogP？: 8.309670000000022
Number of H-Donors: 15
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|