(2R)-5-[[azanyl-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-N-[4-[3-[[(2R)-5-[[azanyl-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[2-(5-methoxy-1H-indol-3-yl)ethanoylamino]pentanoyl]amino]propylamino]butyl]-2-[2-(5-methoxy-1H-indol-3-yl)ethanoylamino]pentanamide

Systemtic Name: (2R)-5-[[azanyl-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-N-[4-[3-[[(2R)-5-[[azanyl-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[2-(5-methoxy-1H-indol-3-yl)ethanoylamino]pentanoyl]amino]propylamino]butyl]-2-[2-(5-methoxy-1H-indol-3-yl)ethanoylamino]pentanamide Openeye Name: (2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylamino]methylene]amino]-N-[4-[3-[[(2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylamino]methylene]amino]-2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]propylamino]butyl]-2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]pentanamide CAS Name: (2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylamino]methylidene]amino]-N-[4-[3-[[(2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[[2-(5-methoxy-1H-indol-3-yl)-1-oxoethyl]amino]-1-oxopentyl]amino]propylamino]butyl]-2-[[2-(5-methoxy-1H-indol-3-yl)-1-oxoethyl]amino]pentanamide IUPAC Name: (2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-N-[4-[3-[[(2R)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]propylamino]butyl]-2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]pentanamide Traditional Name: (2R)-5-[[amino-[(2,2,4,6,7-pentamethylcoumaran-5-yl)sulfonylamino]methylene]amino]-N-[4-[3-[[(2R)-5-[[amino-[(2,2,4,6,7-pentamethylcoumaran-5-yl)sulfonylamino]methylene]amino]-2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]pentanoyl]amino]propylamino]butyl]-2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]valeramide Formula: C67H93N13O12S2 MolecularWeight: 1336.66522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(=NCCCC(C(=O)NCCCCNCCCNC(=O)C(CCCN=C(N)NS(=O)(=O)C3=C(C(=C4C(=C3C)CC(O4)(C)C)C)C)NC(=O)CC5=CNC6=C5C=C(C=C6)OC)NC(=O)CC7=CNC8=C7C=C(C=C8)OC)N)C)CC(O2)(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1C)S(=O)(=O)NC(=NCCC[C@H](C(=O)NCCCCNCCCNC(=O)[C@@H](CCCN=C(N)NS(=O)(=O)C3=C(C(=C4C(=C3C)CC(O4)(C)C)C)C)NC(=O)CC5=CNC6=C5C=C(C=C6)OC)NC(=O)CC7=CNC8=C7C=C(C=C8)OC)N)C)CC(O2)(C)C

InChI

InChI=1S/C67H93N13O12S2/c1-38-40(3)60(42(5)50-34-66(7,8)91-58(38)50)93(85,86)79-64(68)73-27-15-18-54(77-56(81)30-44-36-75-52-22-20-46(89-11)32-48(44)52)62(83)71-26-14-13-24-70-25-17-29-72-63(84)55(78-57(82)31-45-37-76-53-23-21-47(90-12)33-49(45)53)19-16-28-74-65(69)80-94(87,88)61-41(4)39(2)59-51(43(61)6)35-67(9,10)92-59/h20-23,32-33,36-37,54-55,70,75-76H,13-19,24-31,34-35H2,1-12H3,(H,71,83)(H,72,84)(H,77,81)(H,78,82)(H3,68,73,79)(H3,69,74,80)/t54-,55-/m1/s1