2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-oxidanylidene-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-oxidanylidene-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-4-[4-(benzyloxycarbonylamino)-2-oxo-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)butanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-4-[2-oxo-4-(phenylmethoxycarbonylamino)-1-pyrimidinyl]butyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]butanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-4-[4-(benzyloxycarbonylamino)-2-keto-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)butanoyl]amino]acetic acid Formula: C23H29N5O8 MolecularWeight: 503.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCN1C=CC(=NC1=O)NC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCN1C=CC(=NC1=O)NC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C23H29N5O8/c1-23(2,3)36-22(34)25-16(19(31)24-13-18(29)30)9-11-28-12-10-17(26-20(28)32)27-21(33)35-14-15-7-5-4-6-8-15/h4-8,10,12,16H,9,11,13-14H2,1-3H3,(H,24,31)(H,25,34)(H,29,30)(H,26,27,32,33)/t16-/m0/s1