(3S)-3-[3-[3-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]propyl]-2-oxidanylidene-imidazolidin-1-yl]-3-(2,3-dihydro-1-benzofuran-6-yl)propanoic acid

Systemtic Name: (3S)-3-[3-[3-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]propyl]-2-oxidanylidene-imidazolidin-1-yl]-3-(2,3-dihydro-1-benzofuran-6-yl)propanoic acid Openeye Name: (3S)-3-[3-[3-[6-amino-2-(ethylamino)pyrimidin-4-yl]propyl]-2-oxo-imidazolidin-1-yl]-3-(2,3-dihydrobenzofuran-6-yl)propanoic acid CAS Name: (3S)-3-[3-[3-[6-amino-2-(ethylamino)-4-pyrimidinyl]propyl]-2-oxo-1-imidazolidinyl]-3-(2,3-dihydrobenzofuran-6-yl)propanoic acid IUPAC Name: (3S)-3-[3-[3-[6-amino-2-(ethylamino)pyrimidin-4-yl]propyl]-2-oxoimidazolidin-1-yl]-3-(2,3-dihydro-1-benzofuran-6-yl)propanoic acid Traditional Name: (3S)-3-[3-[3-[6-amino-2-(ethylamino)pyrimidin-4-yl]propyl]-2-keto-imidazolidin-1-yl]-3-coumaran-6-yl-propionic acid Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)N)CCCN2CCN(C2=O)C(CC(=O)O)C3=CC4=C(CCO4)C=C3

Isomeric SMILES

CCNC1=NC(=CC(=N1)N)CCCN2CCN(C2=O)[C@@H](CC(=O)O)C3=CC4=C(CCO4)C=C3

InChI

InChI=1S/C23H30N6O4/c1-2-25-22-26-17(13-20(24)27-22)4-3-8-28-9-10-29(23(28)32)18(14-21(30)31)16-6-5-15-7-11-33-19(15)12-16/h5-6,12-13,18H,2-4,7-11,14H2,1H3,(H,30,31)(H3,24,25,26,27)/t18-/m0/s1