2-[[2-[(3-azanyl-5-methyl-2-oxidanyl-hexyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(3-azanyl-5-methyl-2-oxidanyl-hexyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(3-amino-2-hydroxy-5-methyl-hexyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(3-amino-2-hydroxy-5-methylhexyl)amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(3-amino-2-hydroxy-5-methylhexyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(3-amino-2-hydroxy-5-methyl-hexyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C22H37N3O4 MolecularWeight: 407.54688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O4/c1-14(2)10-17(23)20(26)13-24-18(12-16-8-6-5-7-9-16)21(27)25-19(22(28)29)11-15(3)4/h5-9,14-15,17-20,24,26H,10-13,23H2,1-4H3,(H,25,27)(H,28,29)