(5-methyl-2-propan-2-yl-cyclohexyl) 3-[5-[[(2-azanyl-3-phenyl-propanoyl)amino]methyl]-1,2-oxazol-3-yl]propanoate hydrochloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 3-[5-[[(2-azanyl-3-phenyl-propanoyl)amino]methyl]-1,2-oxazol-3-yl]propanoate hydrochloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 3-[5-[[(2-amino-3-phenyl-propanoyl)amino]methyl]isoxazol-3-yl]propanoate hydrochloride CAS Name: 3-[5-[[(2-amino-1-oxo-3-phenylpropyl)amino]methyl]-3-isoxazolyl]propanoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester hydrochloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 3-[5-[[(2-amino-3-phenylpropanoyl)amino]methyl]-1,2-oxazol-3-yl]propanoate hydrochloride Traditional Name: 3-[5-[(phenylalanylamino)methyl]isoxazol-3-yl]propionic acid (2-isopropyl-5-methyl-cyclohexyl) ester hydrochloride Formula: C26H38ClN3O4 MolecularWeight: 492.05062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CCC2=NOC(=C2)CNC(=O)C(CC3=CC=CC=C3)N)C(C)C.Cl

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CCC2=NOC(=C2)CNC(=O)C(CC3=CC=CC=C3)N)C(C)C.Cl

InChI

InChI=1S/C26H37N3O4.ClH/c1-17(2)22-11-9-18(3)13-24(22)32-25(30)12-10-20-15-21(33-29-20)16-28-26(31)23(27)14-19-7-5-4-6-8-19;/h4-8,15,17-18,22-24H,9-14,16,27H2,1-3H3,(H,28,31);1H