2-[[2-[[6-azanylhexyl(oxidanyl)phosphoryl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[6-azanylhexyl(oxidanyl)phosphoryl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[6-aminohexyl(hydroxy)phosphoryl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[6-aminohexyl(hydroxy)phosphoryl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[6-aminohexyl(hydroxy)phosphoryl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[6-aminohexyl(hydroxy)phosphoryl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C21H36N3O5P MolecularWeight: 441.501401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NP(=O)(CCCCCCN)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NP(=O)(CCCCCCN)O

InChI

InChI=1S/C21H36N3O5P/c1-16(2)14-19(21(26)27)23-20(25)18(15-17-10-6-5-7-11-17)24-30(28,29)13-9-4-3-8-12-22/h5-7,10-11,16,18-19H,3-4,8-9,12-15,22H2,1-2H3,(H,23,25)(H,26,27)(H2,24,28,29)