2-[[1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C29H37N3O6 MolecularWeight: 523.62058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C29H37N3O6/c1-3-38-29(37)23(17-16-21-11-6-4-7-12-21)30-20(2)27(34)32-18-10-15-25(32)26(33)31-24(28(35)36)19-22-13-8-5-9-14-22/h4-9,11-14,20,23-25,30H,3,10,15-19H2,1-2H3,(H,31,33)(H,35,36)