(2S)-6-azanyl-2-[[1-[[1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[1-[[1-[[(2S)-6-azanyl-2-[[1-[[1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[1-[(1-azanylcyclohexyl)carbonylamino]cyclohexyl]carbonylamino]hexanoyl]amino]hexanoyl]amino]cyclohexyl]carbonylamino]cyclohexyl]carbonylamino]hexanoyl]amino]cyclohexyl]carbonylamino]cyclohexyl]carbonylamino]hexanoyl]amino]hexanoyl]amino]cyclohexyl]carbonylamino]cyclohexyl]carbonylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[1-[[1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[1-[[1-[[(2S)-6-azanyl-2-[[1-[[1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[1-[(1-azanylcyclohexyl)carbonylamino]cyclohexyl]carbonylamino]hexanoyl]amino]hexanoyl]amino]cyclohexyl]carbonylamino]cyclohexyl]carbonylamino]hexanoyl]amino]cyclohexyl]carbonylamino]cyclohexyl]carbonylamino]hexanoyl]amino]hexanoyl]amino]cyclohexyl]carbonylamino]cyclohexyl]carbonylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[1-[[1-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[1-[[1-[[(2S)-6-amino-2-[[1-[[1-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[1-[(1-aminocyclohexanecarbonyl)amino]cyclohexanecarbonyl]amino]hexanoyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[[1-[[[1-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[[1-[[[1-[[(2S)-6-amino-2-[[[1-[[[1-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[[1-[[(1-aminocyclohexyl)-oxomethyl]amino]cyclohexyl]-oxomethyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]cyclohexyl]-oxomethyl]amino]cyclohexyl]-oxomethyl]amino]-1-oxohexyl]amino]cyclohexyl]-oxomethyl]amino]cyclohexyl]-oxomethyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]cyclohexyl]-oxomethyl]amino]cyclohexyl]-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[1-[[1-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[1-[[1-[[(2S)-6-amino-2-[[1-[[1-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[1-[(1-aminocyclohexanecarbonyl)amino]cyclohexanecarbonyl]amino]hexanoyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[1-[[1-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[1-[[1-[[(2S)-6-amino-2-[[1-[[1-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[1-[(1-aminocyclohexanecarbonyl)amino]cyclohexanecarbonyl]amino]hexanoyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoyl]amino]hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]hexanoic acid Formula: C92H162N20O15 MolecularWeight: 1788.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2(CCCCC2)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC3(CCCCC3)C(=O)NC4(CCCCC4)C(=O)NC(CCCCN)C(=O)NC5(CCCCC5)C(=O)NC6(CCCCC6)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC7(CCCCC7)C(=O)NC8(CCCCC8)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2(CCCCC2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC3(CCCCC3)C(=O)NC4(CCCCC4)C(=O)N[C@@H](CCCCN)C(=O)NC5(CCCCC5)C(=O)NC6(CCCCC6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC7(CCCCC7)C(=O)NC8(CCCCC8)C(=O)N[C@@H](CCCCN)C(=O)O)N

InChI

InChI=1S/C92H162N20O15/c93-59-31-9-37-65(102-78(121)86(45-17-2-18-46-86)109-77(120)85(99)43-15-1-16-44-85)71(113)100-67(39-11-33-61-95)73(115)106-90(53-25-6-26-54-90)82(125)111-88(49-21-4-22-50-88)80(123)104-69(41-13-35-63-97)75(117)108-92(57-29-8-30-58-92)84(127)110-87(47-19-3-20-48-87)79(122)103-66(38-10-32-60-94)72(114)101-68(40-12-34-62-96)74(116)107-91(55-27-7-28-56-91)83(126)112-89(51-23-5-24-52-89)81(124)105-70(76(118)119)42-14-36-64-98/h65-70H,1-64,93-99H2,(H,100,113)(H,101,114)(H,102,121)(H,103,122)(H,104,123)(H,105,124)(H,106,115)(H,107,116)(H,108,117)(H,109,120)(H,110,127)(H,111,125)(H,112,126)(H,118,119)/t65-,66-,67-,68-,69-,70-/m0/s1