2-[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-3-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-methyl-pentanoyl]amino]propanoylamino]-3-phenyl-propionic acid Formula: C22H34N4O6 MolecularWeight: 450.52856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O6/c1-5-12(2)18(26-20(29)17(23)14(4)27)21(30)24-13(3)19(28)25-16(22(31)32)11-15-9-7-6-8-10-15/h6-10,12-14,16-18,27H,5,11,23H2,1-4H3,(H,24,30)(H,25,28)(H,26,29)(H,31,32)