4-(aminocarbonylamino)-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-butanoic acid

Systemtic Name: 4-(aminocarbonylamino)-2-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-butanoic acid Openeye Name: 2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-4-ureido-butanoic acid CAS Name: 4-(carbamoylamino)-2-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxybutanoic acid IUPAC Name: 4-(carbamoylamino)-2-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxybutanoic acid Traditional Name: 2-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-4-ureido-butyric acid Formula: C18H28N3O7P MolecularWeight: 429.404581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCNC(=O)N)C(=O)O

Isomeric SMILES

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC(CCNC(=O)N)C(=O)O

InChI

InChI=1S/C18H28N3O7P/c1-12(2)16(21-15(22)9-8-13-6-4-3-5-7-13)29(26,27)28-14(17(23)24)10-11-20-18(19)25/h3-7,12,14,16H,8-11H2,1-2H3,(H,21,22)(H,23,24)(H,26,27)(H3,19,20,25)