tert-butyl 4-methyl-2-[[3-phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoyl]amino]pentanoate

Systemtic Name: tert-butyl 4-methyl-2-[[3-phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoyl]amino]pentanoate Openeye Name: tert-butyl 4-methyl-2-[[3-phenyl-2-[2-(2-pyridyl)ethoxycarbonylamino]propanoyl]amino]pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-[[oxo-[2-(2-pyridinyl)ethoxy]methyl]amino]-3-phenylpropyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-2-[[3-phenyl-2-(2-pyridin-2-ylethoxycarbonylamino)propanoyl]amino]pentanoate Traditional Name: 4-methyl-2-[[3-phenyl-2-[2-(2-pyridyl)ethoxycarbonylamino]propanoyl]amino]valeric acid tert-butyl ester Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCCC2=CC=CC=N2

Isomeric SMILES

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCCC2=CC=CC=N2

InChI

InChI=1S/C27H37N3O5/c1-19(2)17-23(25(32)35-27(3,4)5)29-24(31)22(18-20-11-7-6-8-12-20)30-26(33)34-16-14-21-13-9-10-15-28-21/h6-13,15,19,22-23H,14,16-18H2,1-5H3,(H,29,31)(H,30,33)