tert-butyl N-[N'-[3-[(2S,4R)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-2-yl]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Systemtic Name: tert-butyl N-[N'-[3-[(2S,4R)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-2-yl]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[N'-[3-[(2S,4R)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]-4-(2-naphthylmethoxy)pyrrolidin-2-yl]propyl]-N-tert-butoxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[3-[(2S,4R)-1-[(2R)-2-acetamido-1-oxo-3-phenylpropyl]-4-(2-naphthalenylmethoxy)-2-pyrrolidinyl]propylimino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[3-[(2S,4R)-1-[(2R)-2-acetamido-3-phenylpropanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-2-yl]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[N'-[3-[(2S,4R)-1-[(2R)-2-acetamido-3-phenyl-propanoyl]-4-(2-naphthylmethoxy)pyrrolidin-2-yl]propyl]-N-tert-butoxycarbonyl-amidino]carbamic acid tert-butyl ester Formula: C40H53N5O7 MolecularWeight: 715.87812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)N2CC(CC2CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2C[C@@H](C[C@@H]2CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C40H53N5O7/c1-27(46)42-34(23-28-14-9-8-10-15-28)35(47)45-25-33(50-26-29-19-20-30-16-11-12-17-31(30)22-29)24-32(45)18-13-21-41-36(43-37(48)51-39(2,3)4)44-38(49)52-40(5,6)7/h8-12,14-17,19-20,22,32-34H,13,18,21,23-26H2,1-7H3,(H,42,46)(H2,41,43,44,48,49)/t32-,33+,34+/m0/s1