3-[4-(1-adamantyl)pyrimidin-2-yl]sulfanyl-2-azanyl-propanoic acid

Systemtic Name: 3-[4-(1-adamantyl)pyrimidin-2-yl]sulfanyl-2-azanyl-propanoic acid Openeye Name: 3-[4-(1-adamantyl)pyrimidin-2-yl]sulfanyl-2-amino-propanoic acid CAS Name: 3-[[4-(1-adamantyl)-2-pyrimidinyl]thio]-2-aminopropanoic acid IUPAC Name: 3-[4-(1-adamantyl)pyrimidin-2-yl]sulfanyl-2-aminopropanoic acid Traditional Name: 3-[[4-(1-adamantyl)pyrimidin-2-yl]thio]-2-amino-propionic acid Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=NC=C4)SCC(C(=O)O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=NC=C4)SCC(C(=O)O)N

InChI

InChI=1S/C17H23N3O2S/c18-13(15(21)22)9-23-16-19-2-1-14(20-16)17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-13H,3-9,18H2,(H,21,22)