(4S,7S,13R,22R)-4,7-bis(1H-indol-3-ylmethyl)-13,18,22-trimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone

Systemtic Name: (4S,7S,13R,22R)-4,7-bis(1H-indol-3-ylmethyl)-13,18,22-trimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone Openeye Name: (4S,7S,13R,22R)-4,7-bis(1H-indol-3-ylmethyl)-13,18,22-trimethyl-16-methylene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone CAS Name: (4S,7S,13R,22R)-4,7-bis(1H-indol-3-ylmethyl)-13,18,22-trimethyl-16-methylene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone IUPAC Name: (4S,7S,13R,22R)-4,7-bis(1H-indol-3-ylmethyl)-13,18,22-trimethyl-16-methylidene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone Traditional Name: (4S,7S,13R,22R)-4,7-bis(1H-indol-3-ylmethyl)-13,18,22-trimethyl-16-methylene-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone Formula: C39H42N10O7S MolecularWeight: 794.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(=C)C(=O)N(CC(=O)NC(C2=NC(=CS2)C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)CC5=CNC6=CC=CC=C65)C)C

Isomeric SMILES

C[C@@H]1C(=O)NC(=C)C(=O)N(CC(=O)N[C@@H](C2=NC(=CS2)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC3=CNC4=CC=CC=C43)CC5=CNC6=CC=CC=C65)C)C

InChI

InChI=1S/C39H42N10O7S/c1-20-34(52)45-22(3)39(56)49(4)18-33(51)44-21(2)38-48-31(19-57-38)37(55)47-30(14-24-16-41-28-12-8-6-10-26(24)28)36(54)46-29(35(53)42-17-32(50)43-20)13-23-15-40-27-11-7-5-9-25(23)27/h5-12,15-16,19-21,29-30,40-41H,3,13-14,17-18H2,1-2,4H3,(H,42,53)(H,43,50)(H,44,51)(H,45,52)(H,46,54)(H,47,55)/t20-,21-,29+,30+/m1/s1