(2R)-2-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-N-[4-[3-[[(2R)-2-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-[[azanyl-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanoyl]amino]propylamino]butyl]-5-[[azanyl-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanamide

Systemtic Name: (2R)-2-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-N-[4-[3-[[(2R)-2-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-[[azanyl-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanoyl]amino]propylamino]butyl]-5-[[azanyl-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanamide Openeye Name: (2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-N-[4-[3-[[(2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[amino-[(2,2,5,7,8-pentamethylchroman-6-yl)sulfonylamino]methylene]amino]pentanoyl]amino]propylamino]butyl]-5-[[amino-[(2,2,5,7,8-pentamethylchroman-6-yl)sulfonylamino]methylene]amino]pentanamide CAS Name: (2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[4-[3-[[(2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonylamino]methylidene]amino]-1-oxopentyl]amino]propylamino]butyl]-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonylamino]methylidene]amino]pentanamide IUPAC Name: (2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-N-[4-[3-[[(2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanoyl]amino]propylamino]butyl]-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanamide Traditional Name: (2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-N-[4-[3-[[(2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[amino-[(2,2,5,7,8-pentamethylchroman-6-yl)sulfonylamino]methylene]amino]pentanoyl]amino]propylamino]butyl]-5-[[amino-[(2,2,5,7,8-pentamethylchroman-6-yl)sulfonylamino]methylene]amino]valeramide Formula: C69H99N15O10S2 MolecularWeight: 1362.74886

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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)CCC(O4)(C)C)C)C)NC(=O)C(CC5=CNC6=CC=CC=C65)N)NC(=O)C(CC7=CNC8=CC=CC=C87)N)N)C)CCC(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)CCC(O4)(C)C)C)C)NC(=O)[C@@H](CC5=CNC6=CC=CC=C65)N)NC(=O)[C@@H](CC7=CNC8=CC=CC=C87)N)N)C)CCC(O2)(C)C

InChI

InChI=1S/C69H99N15O10S2/c1-40-42(3)60(44(5)48-26-28-68(7,8)93-58(40)48)95(89,90)83-66(72)77-33-17-24-56(81-62(85)52(70)36-46-38-79-54-22-13-11-20-50(46)54)64(87)75-32-16-15-30-74-31-19-35-76-65(88)57(82-63(86)53(71)37-47-39-80-55-23-14-12-21-51(47)55)25-18-34-78-67(73)84-96(91,92)61-43(4)41(2)59-49(45(61)6)27-29-69(9,10)94-59/h11-14,20-23,38-39,52-53,56-57,74,79-80H,15-19,24-37,70-71H2,1-10H3,(H,75,87)(H,76,88)(H,81,85)(H,82,86)(H3,72,77,83)(H3,73,78,84)/t52-,53-,56-,57-/m1/s1