S-[3-(1-azanylcyclopentyl)carbonyl-2-hexanoyl-4-phenyl-phenyl] ethanethioate; methyl (2R)-2-azanylpropanoate

Systemtic Name: S-[3-(1-azanylcyclopentyl)carbonyl-2-hexanoyl-4-phenyl-phenyl] ethanethioate; methyl (2R)-2-azanylpropanoate Openeye Name: S-[3-(1-aminocyclopentanecarbonyl)-2-hexanoyl-4-phenyl-phenyl] ethanethioate; methyl (2R)-2-aminopropanoate CAS Name: (2R)-2-aminopropanoic acid methyl ester; ethanethioic acid S-[3-[(1-aminocyclopentyl)-oxomethyl]-2-(1-oxohexyl)-4-phenylphenyl] ester IUPAC Name: S-[3-(1-aminocyclopentanecarbonyl)-2-hexanoyl-4-phenylphenyl] ethanethioate; methyl (2R)-2-aminopropanoate Traditional Name: (2R)-2-aminopropionic acid methyl ester; ethanethioic acid S-[3-(1-aminocyclopentanecarbonyl)-2-caproyl-4-phenyl-phenyl] ester Formula: C30H40N2O5S MolecularWeight: 540.714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=CC(=C1C(=O)C2(CCCC2)N)C3=CC=CC=C3)SC(=O)C.CC(C(=O)OC)N

Isomeric SMILES

CCCCCC(=O)C1=C(C=CC(=C1C(=O)C2(CCCC2)N)C3=CC=CC=C3)SC(=O)C.C[C@H](C(=O)OC)N

InChI

InChI=1S/C26H31NO3S.C4H9NO2/c1-3-4-6-13-21(29)24-22(31-18(2)28)15-14-20(19-11-7-5-8-12-19)23(24)25(30)26(27)16-9-10-17-26;1-3(5)4(6)7-2/h5,7-8,11-12,14-15H,3-4,6,9-10,13,16-17,27H2,1-2H3;3H,5H2,1-2H3/t;3-/m.1/s1