oxan-2-yl (E)-2-[[(3-hydroxyphenyl)methyl-methylsulfonyl-amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate

Systemtic Name: oxan-2-yl (E)-2-[[(3-hydroxyphenyl)methyl-methylsulfonyl-amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate Openeye Name: tetrahydropyran-2-yl (E)-2-[[(3-hydroxyphenyl)methyl-methylsulfonyl-amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[[(3-hydroxyphenyl)methyl-methylsulfonylamino]-(4-methyl-1-oxopentyl)amino]-5-phenyl-4-pentenoic acid 2-oxanyl ester IUPAC Name: oxan-2-yl (E)-2-[[(3-hydroxyphenyl)methyl-methylsulfonylamino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[[(3-hydroxybenzyl)-mesyl-amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoic acid tetrahydropyran-2-yl ester Formula: C30H40N2O7S MolecularWeight: 572.7128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CC=CC1=CC=CC=C1)C(=O)OC2CCCCO2)N(CC3=CC(=CC=C3)O)S(=O)(=O)C

Isomeric SMILES

CC(C)CCC(=O)N(C(C/C=C/C1=CC=CC=C1)C(=O)OC2CCCCO2)N(CC3=CC(=CC=C3)O)S(=O)(=O)C

InChI

InChI=1S/C30H40N2O7S/c1-23(2)18-19-28(34)32(31(40(3,36)37)22-25-14-9-15-26(33)21-25)27(16-10-13-24-11-5-4-6-12-24)30(35)39-29-17-7-8-20-38-29/h4-6,9-15,21,23,27,29,33H,7-8,16-20,22H2,1-3H3/b13-10+