5-phenyl-3-[[3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidene-propan-2-yl]carbamoyl]pentanoic acid

Systemtic Name: 5-phenyl-3-[[3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidene-propan-2-yl]carbamoyl]pentanoic acid Openeye Name: 3-[[1-benzyl-2-(3-phenylpropylamino)-2-thioxo-ethyl]carbamoyl]-5-phenyl-pentanoic acid CAS Name: 3-[oxo-[[3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidenepropan-2-yl]amino]methyl]-5-phenylpentanoic acid IUPAC Name: 5-phenyl-3-[[3-phenyl-1-(3-phenylpropylamino)-1-sulfanylidenepropan-2-yl]carbamoyl]pentanoic acid Traditional Name: 3-[[1-benzyl-2-(3-phenylpropylamino)-2-thioxo-ethyl]carbamoyl]-5-phenyl-valeric acid Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=S)C(CC2=CC=CC=C2)NC(=O)C(CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=S)C(CC2=CC=CC=C2)NC(=O)C(CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C30H34N2O3S/c33-28(34)22-26(19-18-24-13-6-2-7-14-24)29(35)32-27(21-25-15-8-3-9-16-25)30(36)31-20-10-17-23-11-4-1-5-12-23/h1-9,11-16,26-27H,10,17-22H2,(H,31,36)(H,32,35)(H,33,34)