(2S,3S)-3-methyl-2-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(5-methyl-6-propan-2-yloxycarbonyl-thieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate Openeye Name: (2S,3S)-2-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-[[5-methyl-6-[oxo(propan-2-yloxy)methyl]-4-thieno[2,3-d]pyrimidinyl]ammonio]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)azaniumyl]pentanoate Traditional Name: (2S,3S)-2-[(6-isopropoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)ammonio]-3-methyl-valerate Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])[NH2+]C1=C2C(=C(SC2=NC=N1)C(=O)OC(C)C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])[NH2+]C1=C2C(=C(SC2=NC=N1)C(=O)OC(C)C)C

InChI

InChI=1S/C17H23N3O4S/c1-6-9(4)12(16(21)22)20-14-11-10(5)13(17(23)24-8(2)3)25-15(11)19-7-18-14/h7-9,12H,6H2,1-5H3,(H,21,22)(H,18,19,20)/t9-,12-/m0/s1