(2R)-N-[(2S)-1-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-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-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-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)-2-[[(1S)-2-[[(1S,2S)-4-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-hydroxy-1-isobutyl-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-[[(3S,4S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-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-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-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)-2-[[(1S)-2-[[(1S,2S)-4-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-hydroxy-1-isobutyl-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: C54H75N13O9 MolecularWeight: 1050.255

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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(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)C(CC5=CN=CN5)NC(=O)C6CCCN6)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](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]4CCCN4C(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H]6CCCN6)O

InChI

InChI=1S/C54H75N13O9/c1-5-33(4)47(53(75)62-40(48(55)70)23-34-14-8-6-9-15-34)66-46(69)27-45(68)39(22-32(2)3)61-51(73)42(25-36-28-56-30-59-36)63-50(72)41(24-35-16-10-7-11-17-35)64-52(74)44-19-13-21-67(44)54(76)43(26-37-29-57-31-60-37)65-49(71)38-18-12-20-58-38/h6-11,14-17,28-33,38-45,47,58,68H,5,12-13,18-27H2,1-4H3,(H2,55,70)(H,56,59)(H,57,60)(H,61,73)(H,62,75)(H,63,72)(H,64,74)(H,65,71)(H,66,69)/t33?,38-,39+,40+,41+,42+,43+,44-,45+,47+/m1/s1