(2S)-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-6-methyl-2-[(3R,4S,5S,8S,9S,10S,11R,13S,14S,17R)-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptanamide

Systemtic Name: (2S)-N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-6-methyl-2-[(3R,4S,5S,8S,9S,10S,11R,13S,14S,17R)-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptanamide Openeye Name: (2S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[(3R,4S,5S,8S,9S,10S,11R,13S,14S,17R)-3,11-dihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-heptanamide CAS Name: (2S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[(3R,4S,5S,8S,9S,10S,11R,13S,14S,17R)-3,11-dihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-6-methylheptanamide IUPAC Name: (2S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[(3R,4S,5S,8S,9S,10S,11R,13S,14S,17R)-3,11-dihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-6-methylheptanamide Traditional Name: (2S)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[(3R,4S,5S,8S,9S,10S,11R,13S,14S,17R)-3,11-dihydroxy-4,8,10,14-tetramethyl-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-enanthamide Formula: C39H74N4O3 MolecularWeight: 647.02986

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CCC4C(CCCC(C)C)C(=O)NCCCNCCCCNCCCN)C)O)C

Isomeric SMILES

C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(CC[C@H]4[C@H](CCCC(C)C)C(=O)NCCCNCCCCNCCCN)C)O)C

InChI

InChI=1S/C39H74N4O3/c1-27(2)12-9-13-30(36(46)43-25-11-24-42-22-8-7-21-41-23-10-20-40)29-14-18-38(5)32(29)26-34(45)35-37(4)17-16-33(44)28(3)31(37)15-19-39(35,38)6/h27-35,41-42,44-45H,7-26,40H2,1-6H3,(H,43,46)/t28-,29-,30-,31-,32-,33+,34+,35-,37-,38-,39-/m0/s1