(1S,4S,7S,10S,21R)-7-(1H-indol-3-ylmethyl)-4,21-di(propan-2-yl)-12,13-dithia-2,5,8,16,20,23-hexazabicyclo[8.7.6]tricosane-3,6,9,17,19,22-hexone

Systemtic Name: (1S,4S,7S,10S,21R)-7-(1H-indol-3-ylmethyl)-4,21-di(propan-2-yl)-12,13-dithia-2,5,8,16,20,23-hexazabicyclo[8.7.6]tricosane-3,6,9,17,19,22-hexone Openeye Name: (1S,4S,7S,10S,21R)-7-(1H-indol-3-ylmethyl)-4,21-diisopropyl-12,13-dithia-2,5,8,16,20,23-hexazabicyclo[8.7.6]tricosane-3,6,9,17,19,22-hexone CAS Name: (1S,4S,7S,10S,21R)-7-(1H-indol-3-ylmethyl)-4,21-di(propan-2-yl)-12,13-dithia-2,5,8,16,20,23-hexazabicyclo[8.7.6]tricosane-3,6,9,17,19,22-hexone IUPAC Name: (1S,4S,7S,10S,21R)-7-(1H-indol-3-ylmethyl)-4,21-di(propan-2-yl)-12,13-dithia-2,5,8,16,20,23-hexazabicyclo[8.7.6]tricosane-3,6,9,17,19,22-hexone Traditional Name: (1S,4S,7S,10S,21R)-7-(1H-indol-3-ylmethyl)-4,21-diisopropyl-12,13-dithia-2,5,8,16,20,23-hexazabicyclo[8.7.6]tricosane-3,6,9,17,19,22-triquinone Formula: C30H41N7O6S2 MolecularWeight: 659.81984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC2CSSCCNC(=O)C(CC(=O)N1)NC(=O)C(NC(=O)C(NC2=O)CC3=CNC4=CC=CC=C43)C(C)C

Isomeric SMILES

CC(C)[C@@H]1C(=O)N[C@@H]2CSSCCNC(=O)[C@H](CC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC3=CNC4=CC=CC=C43)C(C)C

InChI

InChI=1S/C30H41N7O6S2/c1-15(2)24-29(42)35-22-14-45-44-10-9-31-26(39)21(12-23(38)36-24)34-30(43)25(16(3)4)37-27(40)20(33-28(22)41)11-17-13-32-19-8-6-5-7-18(17)19/h5-8,13,15-16,20-22,24-25,32H,9-12,14H2,1-4H3,(H,31,39)(H,33,41)(H,34,43)(H,35,42)(H,36,38)(H,37,40)/t20-,21-,22+,24+,25-/m0/s1