2-[[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[(2-amino-1-benzyl-2-keto-ethyl)carbamoyl]-3-methyl-butyl]amino]-4-methyl-valeric acid Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C21H33N3O4/c1-13(2)10-17(23-18(21(27)28)11-14(3)4)20(26)24-16(19(22)25)12-15-8-6-5-7-9-15/h5-9,13-14,16-18,23H,10-12H2,1-4H3,(H2,22,25)(H,24,26)(H,27,28)