N-[3-(4-methoxyphenyl)-2-oxidanyl-propyl]-1-[[(2S)-3-methyl-2-sulfanyl-butanoyl]amino]cyclopentane-1-carboxamide

Systemtic Name: N-[3-(4-methoxyphenyl)-2-oxidanyl-propyl]-1-[[(2S)-3-methyl-2-sulfanyl-butanoyl]amino]cyclopentane-1-carboxamide Openeye Name: N-[2-hydroxy-3-(4-methoxyphenyl)propyl]-1-[[(2S)-3-methyl-2-sulfanyl-butanoyl]amino]cyclopentanecarboxamide CAS Name: N-[2-hydroxy-3-(4-methoxyphenyl)propyl]-1-[[(2S)-2-mercapto-3-methyl-1-oxobutyl]amino]-1-cyclopentanecarboxamide IUPAC Name: N-[2-hydroxy-3-(4-methoxyphenyl)propyl]-1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]cyclopentane-1-carboxamide Traditional Name: N-[2-hydroxy-3-(4-methoxyphenyl)propyl]-1-[[(2S)-2-mercapto-3-methyl-butanoyl]amino]cyclopentanecarboxamide Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCC1)C(=O)NCC(CC2=CC=C(C=C2)OC)O)S

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1(CCCC1)C(=O)NCC(CC2=CC=C(C=C2)OC)O)S

InChI

InChI=1S/C21H32N2O4S/c1-14(2)18(28)19(25)23-21(10-4-5-11-21)20(26)22-13-16(24)12-15-6-8-17(27-3)9-7-15/h6-9,14,16,18,24,28H,4-5,10-13H2,1-3H3,(H,22,26)(H,23,25)/t16?,18-/m0/s1