(2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propanoic acid

Systemtic Name: (2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propanoic acid Openeye Name: (2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propanoic acid CAS Name: (2S)-2-[[1-oxo-4-(1-pyrenyl)butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propanoic acid Traditional Name: (2S)-3-phenyl-2-(4-pyren-1-ylbutanoylamino)propionic acid Formula: C29H25NO3 MolecularWeight: 435.5137

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=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)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C29H25NO3/c31-26(30-25(29(32)33)18-19-6-2-1-3-7-19)11-5-8-20-12-13-23-15-14-21-9-4-10-22-16-17-24(20)28(23)27(21)22/h1-4,6-7,9-10,12-17,25H,5,8,11,18H2,(H,30,31)(H,32,33)/t25-/m0/s1