[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[4-[[1-azanyl-2-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-ethylidene]amino]butyl]carbamate

Systemtic Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[4-[[1-azanyl-2-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-ethylidene]amino]butyl]carbamate Openeye Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[4-[[1-amino-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]sulfanyl-ethylidene]amino]butyl]carbamate CAS Name: N-[4-[[1-amino-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]thio]ethylidene]amino]butyl]carbamic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[4-[[1-amino-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]sulfanylethylidene]amino]butyl]carbamate Traditional Name: N-[4-[[1-amino-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]thio]ethylidene]amino]butyl]carbamic acid [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C40H69N3O6S MolecularWeight: 720.05736

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)SCC(=NCCCCNC(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCCC(C)C)C)C)N)O)O)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SCC(=NCCCCNC(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCCC(C)C)C)C)N)O)O)O

InChI

InChI=1S/C40H69N3O6S/c1-24(2)10-9-11-25(3)30-14-15-31-29-13-12-27-22-28(16-18-39(27,5)32(29)17-19-40(30,31)6)49-38(47)43-21-8-7-20-42-33(41)23-50-37-36(46)35(45)34(44)26(4)48-37/h12,24-26,28-32,34-37,44-46H,7-11,13-23H2,1-6H3,(H2,41,42)(H,43,47)/t25?,26-,28?,29?,30?,31?,32?,34+,35+,36-,37+,39?,40?/m1/s1