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

Systemtic Name: 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: 4-methyl-2-[[3-methyl-2-(phenylalanylamino)butanoyl]amino]valeric acid Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-12(2)10-16(20(26)27)22-19(25)17(13(3)4)23-18(24)15(21)11-14-8-6-5-7-9-14/h5-9,12-13,15-17H,10-11,21H2,1-4H3,(H,22,25)(H,23,24)(H,26,27)