N-ethyl-1-[2-[[3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-ethyl-1-[2-[[3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-ethyl-1-[2-[[3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-ethyl-1-[2-[[3-methyl-1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]pentyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-ethyl-1-[2-[[3-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-ethyl-1-[2-[[3-methyl-2-[[(E)-3-phenylacryloyl]amino]pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C31H40N4O4 MolecularWeight: 532.6737

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C31H40N4O4/c1-4-22(3)28(34-27(36)19-18-23-13-8-6-9-14-23)30(38)33-25(21-24-15-10-7-11-16-24)31(39)35-20-12-17-26(35)29(37)32-5-2/h6-11,13-16,18-19,22,25-26,28H,4-5,12,17,20-21H2,1-3H3,(H,32,37)(H,33,38)(H,34,36)/b19-18+