(phenylmethyl) N-[(3S)-1-[[2-(aminocarbonylamino)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-5-yl]-methyl-amino]-6-azanyl-1-oxidanylidene-hexan-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S)-1-[[2-(aminocarbonylamino)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-5-yl]-methyl-amino]-6-azanyl-1-oxidanylidene-hexan-3-yl]carbamate Openeye Name: benzyl N-[(1S)-4-amino-1-[2-[methyl-(6-oxo-2-ureido-4,5-dihydro-1H-pyrimidin-5-yl)amino]-2-oxo-ethyl]butyl]carbamate CAS Name: N-[(3S)-6-amino-1-[[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-methylamino]-1-oxohexan-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-6-amino-1-[[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-methylamino]-1-oxohexan-3-yl]carbamate Traditional Name: N-[(1S)-4-amino-1-[2-keto-2-[(6-keto-2-ureido-4,5-dihydro-1H-pyrimidin-5-yl)-methyl-amino]ethyl]butyl]carbamic acid benzyl ester Formula: C20H29N7O5 MolecularWeight: 447.48816

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CN=C(NC1=O)NC(=O)N)C(=O)CC(CCCN)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(C1CN=C(NC1=O)NC(=O)N)C(=O)C[C@H](CCCN)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H29N7O5/c1-27(15-11-23-19(25-17(15)29)26-18(22)30)16(28)10-14(8-5-9-21)24-20(31)32-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12,21H2,1H3,(H,24,31)(H4,22,23,25,26,29,30)/t14-,15?/m0/s1