| PDB CCD ID: | A5R |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C11 H23 N4 O3 |
| InChI: | InChI=1S/C11H22N4O3/c12-8(4-3-7-15-11(13)14)9(16)5-1-2-6-10(17)18/h8H,1-7,12H2,(H,17,18)(H4,13,14,15)/p+1/t8-/m0/s1 |
| InChIKey: | MYCFGDIVKLHPEU-QMMMGPOBSA-O |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | N[CH](CCCNC(N)=[NH2+])C(=O)CCCCC(O)=O | | OpenEye OEToolkits 1.7.0 | C(CCC(=O)O)CC(=O)[C@H](CCCNC(=[NH2+])N)N | | CACTVS 3.370 | N[C@@H](CCCNC(N)=[NH2+])C(=O)CCCCC(O)=O | | OpenEye OEToolkits 1.7.0 | C(CCC(=O)O)CC(=O)C(CCCNC(=[NH2+])N)N | | ACDLabs 12.01 | O=C(CCCCC(=O)O)C(N)CCCNC(=[NH2+])\N |
|
| Name: | amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium |
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