methyl 3-[(2-acetamido-6-azanyl-hexanoyl)amino]-4-tert-butyl-benzoate

Systemtic Name: methyl 3-[(2-acetamido-6-azanyl-hexanoyl)amino]-4-tert-butyl-benzoate Openeye Name: methyl 3-[(2-acetamido-6-amino-hexanoyl)amino]-4-tert-butyl-benzoate CAS Name: 3-[(2-acetamido-6-amino-1-oxohexyl)amino]-4-tert-butylbenzoic acid methyl ester IUPAC Name: methyl 3-[(2-acetamido-6-aminohexanoyl)amino]-4-tert-butylbenzoate Traditional Name: 3-[(2-acetamido-6-amino-hexanoyl)amino]-4-tert-butyl-benzoic acid methyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(C)(C)C

Isomeric SMILES

CC(=O)NC(CCCCN)C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C20H31N3O4/c1-13(24)22-16(8-6-7-11-21)18(25)23-17-12-14(19(26)27-5)9-10-15(17)20(2,3)4/h9-10,12,16H,6-8,11,21H2,1-5H3,(H,22,24)(H,23,25)