tert-butyl 4-benzamido-2-[[2-imidazol-1-ylethanoyl(2-methylpropyl)amino]-(4-methylpentanoyl)amino]butanoate

Systemtic Name: tert-butyl 4-benzamido-2-[[2-imidazol-1-ylethanoyl(2-methylpropyl)amino]-(4-methylpentanoyl)amino]butanoate Openeye Name: tert-butyl 4-benzamido-2-[[(2-imidazol-1-ylacetyl)-isobutyl-amino]-(4-methylpentanoyl)amino]butanoate CAS Name: 4-benzamido-2-[[[2-(1-imidazolyl)-1-oxoethyl]-(2-methylpropyl)amino]-(4-methyl-1-oxopentyl)amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzamido-2-[[(2-imidazol-1-ylacetyl)-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]butanoate Traditional Name: 4-benzamido-2-[[(2-imidazol-1-ylacetyl)-isobutyl-amino]-(4-methylpentanoyl)amino]butyric acid tert-butyl ester Formula: C30H45N5O5 MolecularWeight: 555.7088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CCNC(=O)C1=CC=CC=C1)C(=O)OC(C)(C)C)N(CC(C)C)C(=O)CN2C=CN=C2

Isomeric SMILES

CC(C)CCC(=O)N(C(CCNC(=O)C1=CC=CC=C1)C(=O)OC(C)(C)C)N(CC(C)C)C(=O)CN2C=CN=C2

InChI

InChI=1S/C30H45N5O5/c1-22(2)13-14-26(36)35(34(19-23(3)4)27(37)20-33-18-17-31-21-33)25(29(39)40-30(5,6)7)15-16-32-28(38)24-11-9-8-10-12-24/h8-12,17-18,21-23,25H,13-16,19-20H2,1-7H3,(H,32,38)