(3R)-4-[4-[3-(1H-imidazol-2-yl)propylamino]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: (3R)-4-[4-[3-(1H-imidazol-2-yl)propylamino]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (3R)-3-(benzyloxycarbonylamino)-4-[4-[3-(1H-imidazol-2-yl)propylamino]-5-methyl-2-oxo-pyrimidin-1-yl]butanoic acid CAS Name: (3R)-4-[4-[3-(1H-imidazol-2-yl)propylamino]-5-methyl-2-oxo-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (3R)-4-[4-[3-(1H-imidazol-2-yl)propylamino]-5-methyl-2-oxopyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (3R)-3-(benzyloxycarbonylamino)-4-[4-[3-(1H-imidazol-2-yl)propylamino]-2-keto-5-methyl-pyrimidin-1-yl]butyric acid Formula: C23H28N6O5 MolecularWeight: 468.50562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1NCCCC2=NC=CN2)CC(CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CN(C(=O)N=C1NCCCC2=NC=CN2)C[C@@H](CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N6O5/c1-16-13-29(22(32)28-21(16)26-9-5-8-19-24-10-11-25-19)14-18(12-20(30)31)27-23(33)34-15-17-6-3-2-4-7-17/h2-4,6-7,10-11,13,18H,5,8-9,12,14-15H2,1H3,(H,24,25)(H,27,33)(H,30,31)(H,26,28,32)/t18-/m1/s1