PRD_002162
Lichostatinal
| Created: | 2015-04-22 |
| Last modified: | 2016-05-04 |
PRD_002162 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 4YV8.
Find Related PDB Entries |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 76 |
| Chiral Atom Count | 3 |
| Bond Count | 75 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | Lichostatinal |
| Systematic Name (OpenEye OEToolkits) | [azanyl-[[(4S)-4-[[(2S)-2-[[(2S)-2-(4-carbamimidamidobutylcarbamoylamino)-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentyl]amino]methylidene]azanium |
| Formula | C20 H41 N10 O5 |
| Molecular Weight | 501.604 |
| Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCCN\C(=N)N)NC(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCN/C(N)=[NH2+])C(C)C)CO |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC(=O)[CH](CO)NC(=O)NCCCCNC(N)=N)C(=O)N[CH](CCCNC(N)=[NH2+])C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)NC(CCCNC(=[NH2+])N)C=O)NC(=O)C(CO)NC(=O)NCCCCNC(=N)N |
| Canonical SMILES | CACTVS | 3.385 | CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)NCCCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C=O |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NCCCCNC(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=[NH2+])N)C=O |
| InChI | InChI | 1.06 | InChI=1S/C20H40N10O5/c1-12(2)15(17(34)28-13(10-31)6-5-9-26-19(23)24)30-16(33)14(11-32)29-20(35)27-8-4-3-7-25-18(21)22/h10,12-15,32H,3-9,11H2,1-2H3,(H,28,34)(H,30,33)(H4,21,22,25)(H4,23,24,26)(H2,27,29,35)/p+1/t13-,14-,15-/m0/s1 |
| InChIKey | InChI | 1.06 | JSAYHYYTJVSHRA-KKUMJFAQSA-O |
