(1S,4S,7S,10S,21R)-4-methyl-7-(phenylmethyl)-21-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)-4-methyl-7-(phenylmethyl)-21-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-benzyl-21-isopropyl-4-methyl-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)-4-methyl-7-(phenylmethyl)-21-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-benzyl-4-methyl-21-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-benzyl-21-isopropyl-4-methyl-12,13-dithia-2,5,8,16,20,23-hexazabicyclo[8.7.6]tricosane-3,6,9,17,19,22-triquinone Formula: C26H36N6O6S2 MolecularWeight: 592.73064

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2CC(=O)NC(C(=O)NC(CSSCCNC2=O)C(=O)NC(C(=O)N1)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H]1C(=O)N[C@H]2CC(=O)N[C@@H](C(=O)N[C@H](CSSCCNC2=O)C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H36N6O6S2/c1-14(2)21-26(38)31-19-13-40-39-10-9-27-23(35)18(12-20(33)32-21)29-22(34)15(3)28-24(36)17(30-25(19)37)11-16-7-5-4-6-8-16/h4-8,14-15,17-19,21H,9-13H2,1-3H3,(H,27,35)(H,28,36)(H,29,34)(H,30,37)(H,31,38)(H,32,33)/t15-,17-,18-,19+,21+/m0/s1