(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-azanyl-2-[[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-azanyl-2-[[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide Openeye Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide CAS Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-(2-methyl-1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-(2-methyl-1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide Traditional Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide Formula: C51H67N13O6 MolecularWeight: 958.16118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CC(C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC4=C(NC5=CC=CC=C54)C)NC(=O)C(CC6=CN=CN6)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[C@@H](C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC4=C(NC5=CC=CC=C54)C)NC(=O)[C@H](CC6=CN=CN6)N

InChI

InChI=1S/C51H67N13O6/c1-30-36(34-16-6-8-18-39(34)58-30)26-44(62-47(66)38(54)25-33-28-56-29-57-33)50(69)61-42(21-11-13-23-53)48(67)64-45(27-37-31(2)59-40-19-9-7-17-35(37)40)51(70)63-43(24-32-14-4-3-5-15-32)49(68)60-41(46(55)65)20-10-12-22-52/h3-9,14-19,28-29,38,41-45,58-59H,10-13,20-27,52-54H2,1-2H3,(H2,55,65)(H,56,57)(H,60,68)(H,61,69)(H,62,66)(H,63,70)(H,64,67)/t38-,41-,42+,43+,44+,45-/m0/s1