4-[[(2S)-3-cyclohexyl-1-(3-phenylpropylamino)-1-sulfanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-3-cyclohexyl-1-(3-phenylpropylamino)-1-sulfanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-1-(cyclohexylmethyl)-2-(3-phenylpropylamino)-2-thioxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-3-cyclohexyl-1-(3-phenylpropylamino)-1-sulfanylidenepropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-3-cyclohexyl-1-(3-phenylpropylamino)-1-sulfanylidenepropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(1S)-1-(cyclohexylmethyl)-2-(3-phenylpropylamino)-2-thioxo-ethyl]amino]-4-keto-butyric acid Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=S)NCCCC2=CC=CC=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=S)NCCCC2=CC=CC=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H32N2O3S/c25-20(13-14-21(26)27)24-19(16-18-10-5-2-6-11-18)22(28)23-15-7-12-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,23,28)(H,24,25)(H,26,27)/t19-/m0/s1