oxan-2-yl (E)-2-[[4-methyl-2-(phenylmethyl)sulfonyl-pentanoyl]-phenylazanyl-amino]-5-phenyl-pent-4-enoate

Systemtic Name: oxan-2-yl (E)-2-[[4-methyl-2-(phenylmethyl)sulfonyl-pentanoyl]-phenylazanyl-amino]-5-phenyl-pent-4-enoate Openeye Name: tetrahydropyran-2-yl (E)-2-[anilino-(2-benzylsulfonyl-4-methyl-pentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[anilino-[4-methyl-1-oxo-2-(phenylmethyl)sulfonylpentyl]amino]-5-phenyl-4-pentenoic acid 2-oxanyl ester IUPAC Name: oxan-2-yl (E)-2-[anilino-(2-benzylsulfonyl-4-methylpentanoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[anilino-(2-benzylsulfonyl-4-methyl-pentanoyl)amino]-5-phenyl-pent-4-enoic acid tetrahydropyran-2-yl ester Formula: C35H42N2O6S MolecularWeight: 618.78278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC=CC1=CC=CC=C1)C(=O)OC2CCCCO2)NC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)N(C(C/C=C/C1=CC=CC=C1)C(=O)OC2CCCCO2)NC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C35H42N2O6S/c1-27(2)25-32(44(40,41)26-29-17-8-4-9-18-29)34(38)37(36-30-20-10-5-11-21-30)31(22-14-19-28-15-6-3-7-16-28)35(39)43-33-23-12-13-24-42-33/h3-11,14-21,27,31-33,36H,12-13,22-26H2,1-2H3/b19-14+