tert-butyl (E)-2-[3-cyclopentylpropanoyl-(2-methylpropylamino)amino]-5-phenyl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[3-cyclopentylpropanoyl-(2-methylpropylamino)amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[3-cyclopentylpropanoyl-(isobutylamino)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(3-cyclopentyl-1-oxopropyl)-(2-methylpropylamino)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[3-cyclopentylpropanoyl-(2-methylpropylamino)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[3-cyclopentylpropanoyl-(isobutylamino)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C27H42N2O3 MolecularWeight: 442.63398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNN(C(CC=CC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)CCC2CCCC2

Isomeric SMILES

CC(C)CNN(C(C/C=C/C1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)CCC2CCCC2

InChI

InChI=1S/C27H42N2O3/c1-21(2)20-28-29(25(30)19-18-23-14-9-10-15-23)24(26(31)32-27(3,4)5)17-11-16-22-12-7-6-8-13-22/h6-8,11-13,16,21,23-24,28H,9-10,14-15,17-20H2,1-5H3/b16-11+