N-[(2S)-3-methyl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3-methyl-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3-methyl-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]carbamoyl]propyl]quinoline-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3-methyl-1-oxo-2-[[oxo(2-quinolinyl)methyl]amino]butyl]amino]-2-phenylethyl]-2-oxiranyl]-2-phenylethyl]amino]-1-oxobutan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-phenylethyl]oxiran-2-yl]-2-phenylethyl]amino]-1-oxobutan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3-methyl-2-(quinaldoylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]carbamoyl]propyl]quinaldamide Formula: C48H50N6O5 MolecularWeight: 790.9478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C2C(O2)C(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)C4=NC5=CC=CC=C5C=C4)NC(=O)C6=NC7=CC=CC=C7C=C6

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)C4=NC5=CC=CC=C5C=C4)NC(=O)C6=NC7=CC=CC=C7C=C6

InChI

InChI=1S/C48H50N6O5/c1-29(2)41(53-45(55)37-25-23-33-19-11-13-21-35(33)49-37)47(57)51-39(27-31-15-7-5-8-16-31)43-44(59-43)40(28-32-17-9-6-10-18-32)52-48(58)42(30(3)4)54-46(56)38-26-24-34-20-12-14-22-36(34)50-38/h5-26,29-30,39-44H,27-28H2,1-4H3,(H,51,57)(H,52,58)(H,53,55)(H,54,56)/t39-,40-,41-,42-,43-,44+/m0/s1