2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]propanoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]propanoylamino]-4-methylpentanoic acid Traditional Name: 2-[2-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]propanoylamino]-4-methyl-valeric acid Formula: C22H32N4O7 MolecularWeight: 464.51208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O7/c1-12(2)9-17(22(32)33)26-19(29)13(3)24-21(31)16(11-18(27)28)25-20(30)15(23)10-14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11,23H2,1-3H3,(H,24,31)(H,25,30)(H,26,29)(H,27,28)(H,32,33)