2,5-bis(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-7-methyl-4-oxidanylidene-octanoic acid

Systemtic Name: 2,5-bis(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-7-methyl-4-oxidanylidene-octanoic acid Openeye Name: 2,5-diamino-2-(2-amino-3-phenyl-propanoyl)-7-methyl-4-oxo-octanoic acid CAS Name: 2,5-diamino-2-(2-amino-1-oxo-3-phenylpropyl)-7-methyl-4-oxooctanoic acid IUPAC Name: 2,5-diamino-2-(2-amino-3-phenylpropanoyl)-7-methyl-4-oxooctanoic acid Traditional Name: 2,5-diamino-4-keto-7-methyl-2-phenylalanyl-caprylic acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-11(2)8-13(19)15(22)10-18(21,17(24)25)16(23)14(20)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10,19-21H2,1-2H3,(H,24,25)