2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoate

Systemtic Name: 2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoate Openeye Name: 2-[[2-[(2-azaniumyl-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoate CAS Name: 2-[[2-[(2-ammonio-1-oxo-3-phenylpropyl)amino]-3-methyl-1-oxopentyl]amino]-3-hydroxybutanoate IUPAC Name: 2-[[2-[(2-azaniumyl-3-phenylpropanoyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoate Traditional Name: 2-[[2-[(2-ammonio-3-phenyl-propanoyl)amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butyrate Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)O)C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)O)C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C19H29N3O5/c1-4-11(2)15(18(25)22-16(12(3)23)19(26)27)21-17(24)14(20)10-13-8-6-5-7-9-13/h5-9,11-12,14-16,23H,4,10,20H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)