4-[2-[2-(2-acetamidocyclohexyl)oxyethanoylamino]propanoyl-(phenylmethyl)amino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[2-[2-(2-acetamidocyclohexyl)oxyethanoylamino]propanoyl-(phenylmethyl)amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 4-[2-[[2-(2-acetamidocyclohexoxy)acetyl]amino]propanoyl-benzyl-amino]-5-amino-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-(2-acetamidocyclohexyl)oxy-1-oxoethyl]amino]-1-oxopropyl]-(phenylmethyl)amino]-5-amino-5-oxopentanoic acid IUPAC Name: 4-[2-[[2-(2-acetamidocyclohexyl)oxyacetyl]amino]propanoyl-benzylamino]-5-amino-5-oxopentanoic acid Traditional Name: 4-[2-[[2-(2-acetamidocyclohexoxy)acetyl]amino]propanoyl-benzyl-amino]-5-amino-5-keto-valeric acid Formula: C25H36N4O7 MolecularWeight: 504.57594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(CCC(=O)O)C(=O)N)NC(=O)COC2CCCCC2NC(=O)C

Isomeric SMILES

CC(C(=O)N(CC1=CC=CC=C1)C(CCC(=O)O)C(=O)N)NC(=O)COC2CCCCC2NC(=O)C

InChI

InChI=1S/C25H36N4O7/c1-16(27-22(31)15-36-21-11-7-6-10-19(21)28-17(2)30)25(35)29(14-18-8-4-3-5-9-18)20(24(26)34)12-13-23(32)33/h3-5,8-9,16,19-21H,6-7,10-15H2,1-2H3,(H2,26,34)(H,27,31)(H,28,30)(H,32,33)