4-benzamido-2-[[2-imidazol-1-ylethanoyl(2-methylpropyl)amino]-(4-methylpentanoyl)amino]butanoic acid

Systemtic Name: 4-benzamido-2-[[2-imidazol-1-ylethanoyl(2-methylpropyl)amino]-(4-methylpentanoyl)amino]butanoic acid Openeye Name: 4-benzamido-2-[[(2-imidazol-1-ylacetyl)-isobutyl-amino]-(4-methylpentanoyl)amino]butanoic acid CAS Name: 4-benzamido-2-[[[2-(1-imidazolyl)-1-oxoethyl]-(2-methylpropyl)amino]-(4-methyl-1-oxopentyl)amino]butanoic acid IUPAC Name: 4-benzamido-2-[[(2-imidazol-1-ylacetyl)-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]butanoic acid Traditional Name: 4-benzamido-2-[[(2-imidazol-1-ylacetyl)-isobutyl-amino]-(4-methylpentanoyl)amino]butyric acid Formula: C26H37N5O5 MolecularWeight: 499.60248

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H37N5O5/c1-19(2)10-11-23(32)31(30(16-20(3)4)24(33)17-29-15-14-27-18-29)22(26(35)36)12-13-28-25(34)21-8-6-5-7-9-21/h5-9,14-15,18-20,22H,10-13,16-17H2,1-4H3,(H,28,34)(H,35,36)