(3S,6S,9S,12S,15S)-3-(3-azanylpropyl)-6-butyl-12-(cyclohexylmethyl)-9-(1H-indol-3-ylmethyl)-4-(phenylmethyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone

Systemtic Name: (3S,6S,9S,12S,15S)-3-(3-azanylpropyl)-6-butyl-12-(cyclohexylmethyl)-9-(1H-indol-3-ylmethyl)-4-(phenylmethyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Openeye Name: (3S,6S,9S,12S,15S)-3-(3-aminopropyl)-4-benzyl-6-butyl-12-(cyclohexylmethyl)-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone CAS Name: (3S,6S,9S,12S,15S)-3-(3-aminopropyl)-6-butyl-12-(cyclohexylmethyl)-9-(1H-indol-3-ylmethyl)-4-(phenylmethyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone IUPAC Name: (3S,6S,9S,12S,15S)-3-(3-aminopropyl)-4-benzyl-6-butyl-12-(cyclohexylmethyl)-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Traditional Name: (3S,6S,9S,12S,15S)-3-(3-aminopropyl)-4-benzyl-6-butyl-12-(cyclohexylmethyl)-9-(1H-indol-3-ylmethyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone Formula: C43H59N7O5 MolecularWeight: 753.97246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CNC4=CC=CC=C43)CC5CCCCC5)CCCN)CC6=CC=CC=C6

Isomeric SMILES

CCCC[C@H]1C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CNC4=CC=CC=C43)CC5CCCCC5)CCCN)CC6=CC=CC=C6

InChI

InChI=1S/C43H59N7O5/c1-2-3-19-34-42(54)50(28-30-16-8-5-9-17-30)38(21-12-23-44)43(55)49-24-13-22-37(49)41(53)48-35(25-29-14-6-4-7-15-29)39(51)47-36(40(52)46-34)26-31-27-45-33-20-11-10-18-32(31)33/h5,8-11,16-18,20,27,29,34-38,45H,2-4,6-7,12-15,19,21-26,28,44H2,1H3,(H,46,52)(H,47,51)(H,48,53)/t34-,35-,36-,37-,38-/m0/s1