3-[2-[3-(methylcarbamothioylamino)propanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[2-[3-(methylcarbamothioylamino)propanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[3-(methylcarbamothioylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[3-[[methylamino(sulfanylidene)methyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[3-(methylcarbamothioylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[3-(methylthiocarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCCC(=O)NCC(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CNC(=S)NCCC(=O)NCC(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H26N4O4S/c1-23-22(31)24-12-11-19(27)25-14-20(28)26-18(13-21(29)30)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,25,27)(H,26,28)(H,29,30)(H2,23,24,31)