3-(4-phenylphenyl)-3-[2-[4-(prop-2-enylcarbamoylamino)butanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-phenylphenyl)-3-[2-[4-(prop-2-enylcarbamoylamino)butanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[4-(allylcarbamoylamino)butanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-4-[[oxo-(prop-2-enylamino)methyl]amino]butyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-(4-phenylphenyl)-3-[[2-[4-(prop-2-enylcarbamoylamino)butanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[4-(allylcarbamoylamino)butanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NCCCC(=O)NCC(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

C=CCNC(=O)NCCCC(=O)NCC(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C25H30N4O5/c1-2-14-26-25(34)27-15-6-9-22(30)28-17-23(31)29-21(16-24(32)33)20-12-10-19(11-13-20)18-7-4-3-5-8-18/h2-5,7-8,10-13,21H,1,6,9,14-17H2,(H,28,30)(H,29,31)(H,32,33)(H2,26,27,34)