(2R)-2-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-oxidanyl-propanoate

Systemtic Name: (2R)-2-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2R)-3-hydroxy-2-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]propanoate CAS Name: (2R)-3-hydroxy-2-[[5-methyl-6-[oxo(propan-2-yloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]ammonio]propanoate IUPAC Name: (2R)-3-hydroxy-2-[(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]propanoate Traditional Name: (2R)-3-hydroxy-2-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]propionate Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)[NH2+]C(CO)C(=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)[NH2+][C@H](CO)C(=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C14H17N3O5S/c1-6(2)22-14(21)10-7(3)9-11(15-5-16-12(9)23-10)17-8(4-18)13(19)20/h5-6,8,18H,4H2,1-3H3,(H,19,20)(H,15,16,17)/t8-/m1/s1