tert-butyl (E)-2-[[butylsulfonyl-(phenylmethyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[[butylsulfonyl-(phenylmethyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[[benzyl(butylsulfonyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[[butylsulfonyl-(phenylmethyl)amino]-(4-methyl-1-oxopentyl)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[[benzyl(butylsulfonyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[[benzyl(butylsulfonyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C32H46N2O5S MolecularWeight: 570.78304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CC1=CC=CC=C1)N(C(CC=CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)CCC(C)C

Isomeric SMILES

CCCCS(=O)(=O)N(CC1=CC=CC=C1)N(C(C/C=C/C2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)CCC(C)C

InChI

InChI=1S/C32H46N2O5S/c1-7-8-24-40(37,38)33(25-28-18-13-10-14-19-28)34(30(35)23-22-26(2)3)29(31(36)39-32(4,5)6)21-15-20-27-16-11-9-12-17-27/h9-20,26,29H,7-8,21-25H2,1-6H3/b20-15+