6-azanyl-2-[[2-methyl-1-[3-phenylpropanoyl-(3-phenylpropanoylamino)amino]propyl]-oxidanyl-phosphoryl]oxy-hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-methyl-1-[3-phenylpropanoyl-(3-phenylpropanoylamino)amino]propyl]-oxidanyl-phosphoryl]oxy-hexanoic acid Openeye Name: 6-amino-2-[hydroxy-[2-methyl-1-[3-phenylpropanoyl-(3-phenylpropanoylamino)amino]propyl]phosphoryl]oxy-hexanoic acid CAS Name: 6-amino-2-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)-[(1-oxo-3-phenylpropyl)amino]amino]propyl]phosphoryl]oxyhexanoic acid IUPAC Name: 6-amino-2-[hydroxy-[2-methyl-1-[3-phenylpropanoyl-(3-phenylpropanoylamino)amino]propyl]phosphoryl]oxyhexanoic acid Traditional Name: 6-amino-2-[[1-[hydrocinnamoyl-(hydrocinnamoylamino)amino]-2-methyl-propyl]-hydroxy-phosphoryl]oxy-hexanoic acid Formula: C28H40N3O7P MolecularWeight: 561.606861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(N(C(=O)CCC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

Isomeric SMILES

CC(C)C(N(C(=O)CCC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2)P(=O)(O)OC(CCCCN)C(=O)O

InChI

InChI=1S/C28H40N3O7P/c1-21(2)27(39(36,37)38-24(28(34)35)15-9-10-20-29)31(26(33)19-17-23-13-7-4-8-14-23)30-25(32)18-16-22-11-5-3-6-12-22/h3-8,11-14,21,24,27H,9-10,15-20,29H2,1-2H3,(H,30,32)(H,34,35)(H,36,37)