| PDB CCD ID: | RNL |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H15 N5 O4 |
| InChI: | InChI=1S/C13H15N5O4/c1-17-4-5-18-9(15-16-10(18)12(17)20)2-3-14-11(19)7-6-8(7)13(21)22/h4-5,7-8H,2-3,6H2,1H3,(H,14,19)(H,21,22)/t7-,8+/m0/s1 |
| InChIKey: | ZHMWBBORZYXPPK-JGVFFNPUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN1C=Cn2c(nnc2C1=O)CCNC(=O)[C@H]3C[C@H]3C(=O)O | | OpenEye OEToolkits 2.0.7 | CN1C=Cn2c(nnc2C1=O)CCNC(=O)C3CC3C(=O)O | | CACTVS 3.385 | CN1C=Cn2c(CCNC(=O)[CH]3C[CH]3C(O)=O)nnc2C1=O | | ACDLabs 12.01 | O=C(O)C1CC1C(=O)NCCc1nnc2n1C=CN(C)C2=O | | CACTVS 3.385 | CN1C=Cn2c(CCNC(=O)[C@H]3C[C@H]3C(O)=O)nnc2C1=O |
|
| Name: | (1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid |
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