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

Systemtic Name: tert-butyl (E)-2-butylsulfonyl-2-[(4-methylpentanoylamino)-(phenylmethyl)amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[benzyl-(4-methylpentanoylamino)amino]-2-butylsulfonyl-5-phenyl-pent-4-enoate CAS Name: (E)-2-butylsulfonyl-2-[[(4-methyl-1-oxopentyl)amino]-(phenylmethyl)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[benzyl-(4-methylpentanoylamino)amino]-2-butylsulfonyl-5-phenylpent-4-enoate Traditional Name: (E)-2-[benzyl-(4-methylpentanoylamino)amino]-2-butylsulfonyl-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)C(CC=CC1=CC=CC=C1)(C(=O)OC(C)(C)C)N(CC2=CC=CC=C2)NC(=O)CCC(C)C

Isomeric SMILES

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

InChI

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