thian-3-yl N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-N-phenethyl-carbamate

Systemtic Name: thian-3-yl N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-N-phenethyl-carbamate Openeye Name: tetrahydrothiopyran-3-yl N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]-N-phenethyl-carbamate CAS Name: N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-N-phenethylcarbamic acid 3-thianyl ester IUPAC Name: thian-3-yl N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-N-phenethylcarbamate Traditional Name: N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]-N-phenethyl-carbamic acid tetrahydrothiopyran-3-yl ester Formula: C30H42N2O6S2 MolecularWeight: 590.79428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN(CCC3=CC=CC=C3)C(=O)OC4CCCSC4)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN(CCC3=CC=CC=C3)C(=O)OC4CCCSC4)O

InChI

InChI=1S/C30H42N2O6S2/c1-37-27-13-15-29(16-14-27)40(35,36)32(20-25-10-5-6-11-25)22-26(33)21-31(18-17-24-8-3-2-4-9-24)30(34)38-28-12-7-19-39-23-28/h2-4,8-9,13-16,25-26,28,33H,5-7,10-12,17-23H2,1H3/t26-,28?/m0/s1