tert-butyl 3-[[4-[3-oxidanylidene-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]phenyl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-[[4-[3-oxidanylidene-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]phenyl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-[[4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]phenyl]methyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-[3-oxo-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoyl]amino]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[[4-[3-keto-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propyl]benzoyl]amino]propionic acid tert-butyl ester Formula: C29H37N5O6 MolecularWeight: 551.63398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(C=C1)CCC(=O)NC2=NCCCN2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(C=C1)CCC(=O)NC2=NCCCN2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H37N5O6/c1-29(2,3)40-26(37)23(33-28(38)39-19-21-8-5-4-6-9-21)18-32-25(36)22-13-10-20(11-14-22)12-15-24(35)34-27-30-16-7-17-31-27/h4-6,8-11,13-14,23H,7,12,15-19H2,1-3H3,(H,32,36)(H,33,38)(H2,30,31,34,35)