2-tert-butylsulfonylprop-2-enyl 3-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]oxy-3-methyl-butanoate

Systemtic Name: 2-tert-butylsulfonylprop-2-enyl 3-[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]oxy-3-methyl-butanoate Openeye Name: 2-tert-butylsulfonylallyl 3-[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]oxy-3-methyl-butanoate CAS Name: 3-[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropoxy]-3-methylbutanoic acid 2-tert-butylsulfonylprop-2-enyl ester IUPAC Name: 2-tert-butylsulfonylprop-2-enyl 3-[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]oxy-3-methylbutanoate Traditional Name: 3-methyl-3-[3-phenyl-2-[[3-phenyl-2-(phenylalanylamino)propanoyl]amino]propanoyl]oxy-butyric acid 2-tert-butylsulfonylallyl ester Formula: C39H49N3O8S MolecularWeight: 719.88666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(=C)COC(=O)CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)S(=O)(=O)C(=C)COC(=O)CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C39H49N3O8S/c1-27(51(47,48)38(2,3)4)26-49-34(43)25-39(5,6)50-37(46)33(24-30-20-14-9-15-21-30)42-36(45)32(23-29-18-12-8-13-19-29)41-35(44)31(40)22-28-16-10-7-11-17-28/h7-21,31-33H,1,22-26,40H2,2-6H3,(H,41,44)(H,42,45)