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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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