(3S,6R,9S,12R,15S,18R)-4,10,16-tri(methyl)-3,9,15-tris(2-methylsulfanylethyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Systemtic Name: (3S,6R,9S,12R,15S,18R)-4,10,16-tri(methyl)-3,9,15-tris(2-methylsulfanylethyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone Openeye Name: (3S,6R,9S,12R,15S,18R)-6,12,18-triisopropyl-4,10,16-tri(methyl)-3,9,15-tris(2-methylsulfanylethyl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone CAS Name: (3S,6R,9S,12R,15S,18R)-4,10,16-tri(methyl)-3,9,15-tris[2-(methylthio)ethyl]-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone IUPAC Name: (3S,6R,9S,12R,15S,18R)-4,10,16-tri(methyl)-3,9,15-tris(2-methylsulfanylethyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone Traditional Name: (3S,6R,9S,12R,15S,18R)-6,12,18-triisopropyl-4,10,16-tri(methyl)-3,9,15-tris[2-(methylthio)ethyl]-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-triquinone Formula: C33H57N3O9S3 MolecularWeight: 741.993006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CCSC)C)C(C)C)CCSC)C)C(C)C)CCSC)C

Isomeric SMILES

CC(C)[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CCSC)[14CH3])C(C)C)CCSC)[14CH3])C(C)C)CCSC)[14CH3]

InChI

InChI=1S/C33H57N3O9S3/c1-19(2)25-28(37)34(7)23(14-17-47-11)32(41)44-27(21(5)6)30(39)36(9)24(15-18-48-12)33(42)45-26(20(3)4)29(38)35(8)22(13-16-46-10)31(40)43-25/h19-27H,13-18H2,1-12H3/t22-,23-,24-,25+,26+,27+/m0/s1/i7+2,8+2,9+2