2-[[2-[(3-benzamido-2-oxidanyl-butyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(3-benzamido-2-oxidanyl-butyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(3-benzamido-2-hydroxy-butyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(3-benzamido-2-hydroxybutyl)amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(3-benzamido-2-hydroxybutyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(3-benzamido-2-hydroxy-butyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NCC(C(C)NC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NCC(C(C)NC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C26H35N3O5/c1-17(2)14-22(26(33)34)29-25(32)21(15-19-10-6-4-7-11-19)27-16-23(30)18(3)28-24(31)20-12-8-5-9-13-20/h4-13,17-18,21-23,27,30H,14-16H2,1-3H3,(H,28,31)(H,29,32)(H,33,34)