(2R)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-5-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclohexyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-pyrrolidin-2-yl]carbonylamino]propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-5-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-cyclohexyl-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-pyrrolidin-2-yl]carbonylamino]propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[(1S)-2-[[(1S)-2-[[(1S,2S)-4-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-1-(cyclohexylmethyl)-2-hydroxy-4-oxo-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide CAS Name: (2R)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-5-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-[[oxo-[(2R)-2-pyrrolidinyl]methyl]amino]propyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-5-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-3-hydroxy-5-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-N-[(1S)-2-[[(1S)-2-[[(1S,2S)-4-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-1-(cyclohexylmethyl)-2-hydroxy-4-keto-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-prolyl]amino]propanoyl]pyrrolidine-2-carboxamide Formula: C57H79N13O9 MolecularWeight: 1090.31886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)CC(C(CC2CCCCC2)NC(=O)C(CC3=CN=CN3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)NC(=O)C7CCCN7)O

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H]5CCCN5C(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H]7CCCN7)O

InChI

InChI=1S/C57H79N13O9/c1-3-35(2)50(56(78)65-43(51(58)73)26-37-17-9-5-10-18-37)69-49(72)30-48(71)42(25-36-15-7-4-8-16-36)64-54(76)45(28-39-31-59-33-62-39)66-53(75)44(27-38-19-11-6-12-20-38)67-55(77)47-22-14-24-70(47)57(79)46(29-40-32-60-34-63-40)68-52(74)41-21-13-23-61-41/h5-6,9-12,17-20,31-36,41-48,50,61,71H,3-4,7-8,13-16,21-30H2,1-2H3,(H2,58,73)(H,59,62)(H,60,63)(H,64,76)(H,65,78)(H,66,75)(H,67,77)(H,68,74)(H,69,72)/t35?,41-,42+,43+,44+,45+,46+,47-,48+,50+/m1/s1