3-[2-[5-(methylcarbamothioylamino)pentanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[2-[5-(methylcarbamothioylamino)pentanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[5-(methylcarbamothioylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[5-[[methylamino(sulfanylidene)methyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[5-(methylcarbamothioylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[5-(methylthiocarbamoylamino)pentanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4S/c1-25-24(33)26-14-6-5-9-21(29)27-16-22(30)28-20(15-23(31)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3,(H,27,29)(H,28,30)(H,31,32)(H2,25,26,33)