(2S)-2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[6-[[(cyclohexylamino)-oxomethyl]amino]-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-3-phenyl-propionic acid Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCCCCC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCCCCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H33N3O4/c26-20(25-19(21(27)28)16-17-10-4-1-5-11-17)14-8-3-9-15-23-22(29)24-18-12-6-2-7-13-18/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,25,26)(H,27,28)(H2,23,24,29)/t19-/m0/s1