thian-4-yl 6-[azanyl-[(1-propan-2-ylimidazol-2-yl)methyl]amino]-3-oxidanyl-6-oxidanylidene-2,5-bis(phenylmethyl)hexanoate

Systemtic Name: thian-4-yl 6-[azanyl-[(1-propan-2-ylimidazol-2-yl)methyl]amino]-3-oxidanyl-6-oxidanylidene-2,5-bis(phenylmethyl)hexanoate Openeye Name: tetrahydrothiopyran-4-yl 6-[amino-[(1-isopropylimidazol-2-yl)methyl]amino]-2,5-dibenzyl-3-hydroxy-6-oxo-hexanoate CAS Name: 6-[amino-[(1-propan-2-yl-2-imidazolyl)methyl]amino]-3-hydroxy-6-oxo-2,5-bis(phenylmethyl)hexanoic acid 4-thianyl ester IUPAC Name: thian-4-yl 6-[amino-[(1-propan-2-ylimidazol-2-yl)methyl]amino]-2,5-dibenzyl-3-hydroxy-6-oxohexanoate Traditional Name: 6-[amino-[(1-isopropylimidazol-2-yl)methyl]amino]-2,5-dibenzyl-3-hydroxy-6-keto-hexanoic acid tetrahydrothiopyran-4-yl ester Formula: C32H42N4O4S MolecularWeight: 578.76528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CN=C1CN(C(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)C(=O)OC4CCSCC4)O)N

Isomeric SMILES

CC(C)N1C=CN=C1CN(C(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)C(=O)OC4CCSCC4)O)N

InChI

InChI=1S/C32H42N4O4S/c1-23(2)35-16-15-34-30(35)22-36(33)31(38)26(19-24-9-5-3-6-10-24)21-29(37)28(20-25-11-7-4-8-12-25)32(39)40-27-13-17-41-18-14-27/h3-12,15-16,23,26-29,37H,13-14,17-22,33H2,1-2H3