methyl (2R)-1-[2-[4-[[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]imidazol-1-yl]-2-phenyl-ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R)-1-[2-[4-[[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]imidazol-1-yl]-2-phenyl-ethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2R)-1-[2-[4-[[2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]imidazol-1-yl]-2-phenyl-acetyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[2-[4-[[2-[[2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]-1-imidazolyl]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[2-[4-[[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]imidazol-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[2-[4-[[2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]imidazol-1-yl]-2-phenyl-acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C39H46N6O7 MolecularWeight: 710.81854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC3=CN(C=N3)C(C4=CC=CC=C4)C(=O)N5CCCC5C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC3=CN(C=N3)C(C4=CC=CC=C4)C(=O)N5CCC[C@@H]5C(=O)OC

InChI

InChI=1S/C39H46N6O7/c1-38(2,3)52-37(50)43-39(4,5)36(49)41-29(22-25-18-19-26-13-10-11-16-28(26)21-25)33(46)42-31-23-44(24-40-31)32(27-14-8-7-9-15-27)34(47)45-20-12-17-30(45)35(48)51-6/h7-11,13-16,18-19,21,23-24,29-30,32H,12,17,20,22H2,1-6H3,(H,41,49)(H,42,46)(H,43,50)/t29?,30-,32?/m1/s1