(2S)-2-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid

Systemtic Name: (2S)-2-[(6-cyclohexyloxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid Openeye Name: (2S)-2-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid CAS Name: (2S)-2-[[6-[cyclohexyloxy(oxo)methyl]-5-methyl-4-thieno[2,3-d]pyrimidinyl]amino]propanoic acid IUPAC Name: (2S)-2-[(6-cyclohexyloxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid Traditional Name: (2S)-2-[[6-(cyclohexoxycarbonyl)-5-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propionic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC(C)C(=O)O)C(=O)OC3CCCCC3

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N[C@@H](C)C(=O)O)C(=O)OC3CCCCC3

InChI

InChI=1S/C17H21N3O4S/c1-9-12-14(20-10(2)16(21)22)18-8-19-15(12)25-13(9)17(23)24-11-6-4-3-5-7-11/h8,10-11H,3-7H2,1-2H3,(H,21,22)(H,18,19,20)/t10-/m0/s1