(2S)-3-phenyl-2-[2-(4-pyren-1-ylbutanoylamino)ethanoylamino]propanoate

Systemtic Name: (2S)-3-phenyl-2-[2-(4-pyren-1-ylbutanoylamino)ethanoylamino]propanoate Openeye Name: (2S)-3-phenyl-2-[[2-(4-pyren-1-ylbutanoylamino)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[[1-oxo-4-(1-pyrenyl)butyl]amino]ethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-3-phenyl-2-[[2-(4-pyren-1-ylbutanoylamino)acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(4-pyren-1-ylbutanoylamino)acetyl]amino]propionate Formula: C31H27N2O4- MolecularWeight: 491.55708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)CNC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)CNC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C31H28N2O4/c34-27(32-19-28(35)33-26(31(36)37)18-20-6-2-1-3-7-20)11-5-8-21-12-13-24-15-14-22-9-4-10-23-16-17-25(21)30(24)29(22)23/h1-4,6-7,9-10,12-17,26H,5,8,11,18-19H2,(H,32,34)(H,33,35)(H,36,37)/p-1/t26-/m0/s1