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

Systemtic Name: (3R)-4-[4-[[3-(1H-imidazol-2-ylamino)-3-oxidanylidene-propyl]amino]-5-methyl-2-oxidanylidene-pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (3R)-3-(benzyloxycarbonylamino)-4-[4-[[3-(1H-imidazol-2-ylamino)-3-oxo-propyl]amino]-5-methyl-2-oxo-pyrimidin-1-yl]butanoic acid CAS Name: (3R)-4-[4-[[3-(1H-imidazol-2-ylamino)-3-oxopropyl]amino]-5-methyl-2-oxo-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (3R)-4-[4-[[3-(1H-imidazol-2-ylamino)-3-oxopropyl]amino]-5-methyl-2-oxopyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (3R)-3-(benzyloxycarbonylamino)-4-[4-[[3-(1H-imidazol-2-ylamino)-3-keto-propyl]amino]-2-keto-5-methyl-pyrimidin-1-yl]butyric acid Formula: C23H27N7O6 MolecularWeight: 497.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1NCCC(=O)NC2=NC=CN2)CC(CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CN(C(=O)N=C1NCCC(=O)NC2=NC=CN2)C[C@@H](CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27N7O6/c1-15-12-30(22(34)29-20(15)24-8-7-18(31)28-21-25-9-10-26-21)13-17(11-19(32)33)27-23(35)36-14-16-5-3-2-4-6-16/h2-6,9-10,12,17H,7-8,11,13-14H2,1H3,(H,27,35)(H,32,33)(H,24,29,34)(H2,25,26,28,31)/t17-/m1/s1