methyl (2S)-3-[4-[2-[cyclohexylcarbonyl(methyl)amino]ethoxy]phenyl]-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propanoate

Systemtic Name: methyl (2S)-3-[4-[2-[cyclohexylcarbonyl(methyl)amino]ethoxy]phenyl]-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propanoate Openeye Name: methyl (2S)-3-[4-[2-[cyclohexanecarbonyl(methyl)amino]ethoxy]phenyl]-2-[(5-phenylthiazol-2-yl)amino]propanoate CAS Name: (2S)-3-[4-[2-[[cyclohexyl(oxo)methyl]-methylamino]ethoxy]phenyl]-2-[(5-phenyl-2-thiazolyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-[2-[cyclohexanecarbonyl(methyl)amino]ethoxy]phenyl]-2-[(5-phenyl-1,3-thiazol-2-yl)amino]propanoate Traditional Name: (2S)-3-[4-[2-[cyclohexanecarbonyl(methyl)amino]ethoxy]phenyl]-2-[(5-phenylthiazol-2-yl)amino]propionic acid methyl ester Formula: C29H35N3O4S MolecularWeight: 521.6709

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)CC(C(=O)OC)NC2=NC=C(S2)C3=CC=CC=C3)C(=O)C4CCCCC4

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC2=NC=C(S2)C3=CC=CC=C3)C(=O)C4CCCCC4

InChI

InChI=1S/C29H35N3O4S/c1-32(27(33)23-11-7-4-8-12-23)17-18-36-24-15-13-21(14-16-24)19-25(28(34)35-2)31-29-30-20-26(37-29)22-9-5-3-6-10-22/h3,5-6,9-10,13-16,20,23,25H,4,7-8,11-12,17-19H2,1-2H3,(H,30,31)/t25-/m0/s1