2-[(5-azanyl-4-oxidanyl-6-phenyl-hexanoyl)-[2-(2-azanylpropanoylamino)propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(5-azanyl-4-oxidanyl-6-phenyl-hexanoyl)-[2-(2-azanylpropanoylamino)propanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(5-amino-4-hydroxy-6-phenyl-hexanoyl)-[2-(2-aminopropanoylamino)propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[(5-amino-4-hydroxy-1-oxo-6-phenylhexyl)-[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(5-amino-4-hydroxy-6-phenylhexanoyl)-[2-(2-aminopropanoylamino)propanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[2-(alanylamino)propanoyl-(5-amino-4-hydroxy-6-phenyl-hexanoyl)amino]-3-methyl-butyric acid Formula: C23H36N4O6 MolecularWeight: 464.55514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O6/c1-13(2)20(23(32)33)27(22(31)15(4)26-21(30)14(3)24)19(29)11-10-18(28)17(25)12-16-8-6-5-7-9-16/h5-9,13-15,17-18,20,28H,10-12,24-25H2,1-4H3,(H,26,30)(H,32,33)