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

Systemtic Name: (2S)-3-phenyl-2-[2-[2-(4-pyren-1-ylbutanoylamino)ethanoylamino]ethanoylamino]propanoic acid Openeye Name: (2S)-3-phenyl-2-[[2-[[2-(4-pyren-1-ylbutanoylamino)acetyl]amino]acetyl]amino]propanoic acid CAS Name: (2S)-2-[[1-oxo-2-[[1-oxo-2-[[1-oxo-4-(1-pyrenyl)butyl]amino]ethyl]amino]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[2-[[2-(4-pyren-1-ylbutanoylamino)acetyl]amino]acetyl]amino]propanoic acid Traditional Name: (2S)-3-phenyl-2-[[2-[[2-(4-pyren-1-ylbutanoylamino)acetyl]amino]acetyl]amino]propionic acid Formula: C33H31N3O5 MolecularWeight: 549.61634

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H31N3O5/c37-28(34-19-29(38)35-20-30(39)36-27(33(40)41)18-21-6-2-1-3-7-21)11-5-8-22-12-13-25-15-14-23-9-4-10-24-16-17-26(22)32(25)31(23)24/h1-4,6-7,9-10,12-17,27H,5,8,11,18-20H2,(H,34,37)(H,35,38)(H,36,39)(H,40,41)/t27-/m0/s1