2-[6-azanyl-2-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]hexanoyl]-5-tert-butyl-3-phenylmethoxycarbonyl-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: 2-[6-azanyl-2-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]hexanoyl]-5-tert-butyl-3-phenylmethoxycarbonyl-1,3,4-thiadiazole-2-carboxylate Openeye Name: 2-[6-amino-2-[(1-benzyloxycarbonyl-3-phenyl-propyl)amino]hexanoyl]-3-benzyloxycarbonyl-5-tert-butyl-1,3,4-thiadiazole-2-carboxylate CAS Name: 2-[6-amino-1-oxo-2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]hexyl]-5-tert-butyl-3-phenylmethoxycarbonyl-1,3,4-thiadiazole-2-carboxylate IUPAC Name: 2-[6-amino-2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]hexanoyl]-5-tert-butyl-3-phenylmethoxycarbonyl-1,3,4-thiadiazole-2-carboxylate Traditional Name: 2-[6-amino-2-[(1-carbobenzoxy-3-phenyl-propyl)amino]hexanoyl]-5-tert-butyl-3-carbobenzoxy-1,3,4-thiadiazole-2-carboxylate Formula: C38H45N4O7S- MolecularWeight: 701.8515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(S1)(C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(S1)(C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C38H46N4O7S/c1-37(2,3)34-41-42(36(47)49-26-29-19-11-6-12-20-29)38(50-34,35(45)46)32(43)30(21-13-14-24-39)40-31(23-22-27-15-7-4-8-16-27)33(44)48-25-28-17-9-5-10-18-28/h4-12,15-20,30-31,40H,13-14,21-26,39H2,1-3H3,(H,45,46)/p-1