8-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)octanoic acid

Systemtic Name: 8-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)octanoic acid Openeye Name: 2-benzyl-5-(benzyloxycarbonylamino)-8-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-octanoic acid CAS Name: 8-[(4,6-dimethyl-2-pyrimidinyl)amino]-4-oxo-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)octanoic acid IUPAC Name: 2-benzyl-8-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-5-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 2-benzyl-5-(benzyloxycarbonylamino)-8-[(4,6-dimethylpyrimidin-2-yl)amino]-4-keto-caprylic acid Formula: C29H34N4O5 MolecularWeight: 518.60406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCCCC(C(=O)CC(CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NCCCC(C(=O)CC(CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C29H34N4O5/c1-20-16-21(2)32-28(31-20)30-15-9-14-25(33-29(37)38-19-23-12-7-4-8-13-23)26(34)18-24(27(35)36)17-22-10-5-3-6-11-22/h3-8,10-13,16,24-25H,9,14-15,17-19H2,1-2H3,(H,33,37)(H,35,36)(H,30,31,32)