[4-[2-[(2-azanyl-3-pyridin-4-yl-propanoyl)amino]-3-(tert-butylamino)-3-oxidanylidene-propyl]phenyl] benzoate

Systemtic Name: [4-[2-[(2-azanyl-3-pyridin-4-yl-propanoyl)amino]-3-(tert-butylamino)-3-oxidanylidene-propyl]phenyl] benzoate Openeye Name: [4-[2-[[2-amino-3-(4-pyridyl)propanoyl]amino]-3-(tert-butylamino)-3-oxo-propyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[(2-amino-1-oxo-3-pyridin-4-ylpropyl)amino]-3-(tert-butylamino)-3-oxopropyl]phenyl] ester IUPAC Name: [4-[2-[(2-amino-3-pyridin-4-ylpropanoyl)amino]-3-(tert-butylamino)-3-oxopropyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[[2-amino-3-(4-pyridyl)propanoyl]amino]-3-(tert-butylamino)-3-keto-propyl]phenyl] ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)NC(=O)C(CC3=CC=NC=C3)N

Isomeric SMILES

CC(C)(C)NC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)NC(=O)C(CC3=CC=NC=C3)N

InChI

InChI=1S/C28H32N4O4/c1-28(2,3)32-26(34)24(31-25(33)23(29)17-20-13-15-30-16-14-20)18-19-9-11-22(12-10-19)36-27(35)21-7-5-4-6-8-21/h4-16,23-24H,17-18,29H2,1-3H3,(H,31,33)(H,32,34)