(2R)-N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-6-methyl-3-oxidanyl-1-oxidanylidene-heptan-4-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-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-6-methyl-3-oxidanyl-1-oxidanylidene-heptan-4-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)-1-benzyl-2-[[(1S)-2-[[(1S,2S)-4-[[(1S)-1-[[(1S)-1-carbamoyl-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]amino]-2-hydroxy-1-isobutyl-4-oxo-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-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-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-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-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-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)-1-benzyl-2-[[(1S)-2-[[(1S,2S)-4-[[(1S)-1-[[(1S)-1-carbamoyl-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]amino]-2-hydroxy-1-isobutyl-4-keto-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-prolyl]amino]propanoyl]pyrrolidine-2-carboxamide Formula: C47H69N13O11 MolecularWeight: 992.13126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)N)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(CC4=CN=CN4)NC(=O)C5CCCN5

Isomeric SMILES

CC(C)C[C@@H]([C@H](CC(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)O)C(=O)N)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H]5CCCN5

InChI

InChI=1S/C47H69N13O11/c1-25(2)16-32(37(63)20-38(64)58-40(27(4)62)46(70)59-39(26(3)61)41(48)65)54-44(68)34(18-29-21-49-23-52-29)55-43(67)33(17-28-10-6-5-7-11-28)56-45(69)36-13-9-15-60(36)47(71)35(19-30-22-50-24-53-30)57-42(66)31-12-8-14-51-31/h5-7,10-11,21-27,31-37,39-40,51,61-63H,8-9,12-20H2,1-4H3,(H2,48,65)(H,49,52)(H,50,53)(H,54,68)(H,55,67)(H,56,69)(H,57,66)(H,58,64)(H,59,70)/t26?,27?,31-,32+,33+,34+,35+,36-,37+,39+,40+/m1/s1