(E)-2-(3-azanylpropylsulfonyl)-2-[(4-methylpentanoylamino)-(2-methylpropyl)amino]-5-phenyl-N-phenylmethoxy-pent-4-enamide

Systemtic Name: (E)-2-(3-azanylpropylsulfonyl)-2-[(4-methylpentanoylamino)-(2-methylpropyl)amino]-5-phenyl-N-phenylmethoxy-pent-4-enamide Openeye Name: (E)-2-(3-aminopropylsulfonyl)-N-benzyloxy-2-[isobutyl-(4-methylpentanoylamino)amino]-5-phenyl-pent-4-enamide CAS Name: (E)-2-(3-aminopropylsulfonyl)-2-[[(4-methyl-1-oxopentyl)amino]-(2-methylpropyl)amino]-5-phenyl-N-phenylmethoxy-4-pentenamide IUPAC Name: (E)-2-(3-aminopropylsulfonyl)-2-[(4-methylpentanoylamino)-(2-methylpropyl)amino]-5-phenyl-N-phenylmethoxypent-4-enamide Traditional Name: (E)-2-(3-aminopropylsulfonyl)-N-benzoxy-2-[isobutyl-(4-methylpentanoylamino)amino]-5-phenyl-pent-4-enamide Formula: C31H46N4O5S MolecularWeight: 586.78574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NN(CC(C)C)C(CC=CC1=CC=CC=C1)(C(=O)NOCC2=CC=CC=C2)S(=O)(=O)CCCN

Isomeric SMILES

CC(C)CCC(=O)NN(CC(C)C)C(C/C=C/C1=CC=CC=C1)(C(=O)NOCC2=CC=CC=C2)S(=O)(=O)CCCN

InChI

InChI=1S/C31H46N4O5S/c1-25(2)18-19-29(36)33-35(23-26(3)4)31(41(38,39)22-12-21-32,20-11-17-27-13-7-5-8-14-27)30(37)34-40-24-28-15-9-6-10-16-28/h5-11,13-17,25-26H,12,18-24,32H2,1-4H3,(H,33,36)(H,34,37)/b17-11+