XDY
Summary
Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
Formula: | C14 H20 N4 O5 |
Formal charge: | 0 |
Formula weight: | 324.332 Da |
Component type: | peptide-like |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
OpenEye OEToolkits | 2.0.7 | 2-[[(1~{S},2~{S})-2-azanylcyclopentyl]-[2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoyl]amino]ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O |
InChI | InChI | 1.03 | InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1 |
InChIKey | InChI | 1.03 | LPWTXUYWYQYXJR-UWVGGRQHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN(CC(=O)N(CC(O)=O)[C@H]2CCC[C@@H]2N)C(=O)NC1=O |
SMILES | CACTVS | 3.385 | CC1=CN(CC(=O)N(CC(O)=O)[CH]2CCC[CH]2N)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2CCC[C@@H]2N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)C2CCCC2N |