methyl 2-[azanyl-[3-heptyl-1-(morpholin-4-ylcarbonylamino)cyclohexyl]carbonyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[azanyl-[3-heptyl-1-(morpholin-4-ylcarbonylamino)cyclohexyl]carbonyl-amino]-3-phenyl-propanoate Openeye Name: methyl 2-[amino-[3-heptyl-1-(morpholine-4-carbonylamino)cyclohexanecarbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[amino-[[3-heptyl-1-[[4-morpholinyl(oxo)methyl]amino]cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[amino-[3-heptyl-1-(morpholine-4-carbonylamino)cyclohexanecarbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[amino-[3-heptyl-1-(morpholine-4-carbonylamino)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C29H46N4O5 MolecularWeight: 530.69934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCCC(C1)(C(=O)N(C(CC2=CC=CC=C2)C(=O)OC)N)NC(=O)N3CCOCC3

Isomeric SMILES

CCCCCCCC1CCCC(C1)(C(=O)N(C(CC2=CC=CC=C2)C(=O)OC)N)NC(=O)N3CCOCC3

InChI

InChI=1S/C29H46N4O5/c1-3-4-5-6-8-14-24-15-11-16-29(22-24,31-28(36)32-17-19-38-20-18-32)27(35)33(30)25(26(34)37-2)21-23-12-9-7-10-13-23/h7,9-10,12-13,24-25H,3-6,8,11,14-22,30H2,1-2H3,(H,31,36)