3-[2-[phenethyl(4-pyridin-4-ylbutanoyl)amino]ethanoylamino]-5-phenyl-pentanoic acid

Systemtic Name: 3-[2-[phenethyl(4-pyridin-4-ylbutanoyl)amino]ethanoylamino]-5-phenyl-pentanoic acid Openeye Name: 3-[[2-[phenethyl-[4-(4-pyridyl)butanoyl]amino]acetyl]amino]-5-phenyl-pentanoic acid CAS Name: 3-[[1-oxo-2-[(1-oxo-4-pyridin-4-ylbutyl)-phenethylamino]ethyl]amino]-5-phenylpentanoic acid IUPAC Name: 3-[[2-[phenethyl(4-pyridin-4-ylbutanoyl)amino]acetyl]amino]-5-phenylpentanoic acid Traditional Name: 3-[[2-[phenethyl-[4-(4-pyridyl)butanoyl]amino]acetyl]amino]-5-phenyl-valeric acid Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CC(=O)O)NC(=O)CN(CCC2=CC=CC=C2)C(=O)CCCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(CC(=O)O)NC(=O)CN(CCC2=CC=CC=C2)C(=O)CCCC3=CC=NC=C3

InChI

InChI=1S/C30H35N3O4/c34-28(32-27(22-30(36)37)15-14-24-8-3-1-4-9-24)23-33(21-18-25-10-5-2-6-11-25)29(35)13-7-12-26-16-19-31-20-17-26/h1-6,8-11,16-17,19-20,27H,7,12-15,18,21-23H2,(H,32,34)(H,36,37)