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

Systemtic Name: 2-[[2-[[hexyl(oxidanyl)phosphoryl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[hexyl(hydroxy)phosphoryl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[hexyl(hydroxy)phosphoryl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[hexyl(hydroxy)phosphoryl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[hexyl(hydroxy)phosphoryl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C21H35N2O5P MolecularWeight: 426.486761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N2O5P/c1-4-5-6-10-13-29(27,28)23-18(15-17-11-8-7-9-12-17)20(24)22-19(21(25)26)14-16(2)3/h7-9,11-12,16,18-19H,4-6,10,13-15H2,1-3H3,(H,22,24)(H,25,26)(H2,23,27,28)