(phenylmethyl) (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-[1-(phenylmethoxymethyl)imidazol-4-yl]propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-[1-(phenylmethoxymethyl)imidazol-4-yl]propanoyl]amino]propanoate Openeye Name: benzyl (2R)-2-[[(2S)-3-[1-(benzyloxymethyl)imidazol-4-yl]-2-[[(2R)-2-[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoate CAS Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[[(2S)-1-[(2R)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-oxo-3-[1-(phenylmethoxymethyl)-4-imidazolyl]propyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[1-(phenylmethoxymethyl)imidazol-4-yl]propanoyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-3-[1-(benzoxymethyl)imidazol-4-yl]-2-[[(2R)-2-[[(2S)-1-[(2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]prolyl]amino]propanoyl]amino]propanoyl]amino]propionic acid benzyl ester Formula: C43H59N7O9 MolecularWeight: 817.97006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC2=CN(C=N2)COCC3=CC=CC=C3)C(=O)NC(C)C(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CC1=CN(C=N1)COCC2=CC=CC=C2)C(=O)N[C@H](C)C(=O)OCC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C43H59N7O9/c1-28(2)21-35(48-42(56)59-43(5,6)7)40(54)50-20-14-19-36(50)39(53)45-29(3)37(51)47-34(38(52)46-30(4)41(55)58-25-32-17-12-9-13-18-32)22-33-23-49(26-44-33)27-57-24-31-15-10-8-11-16-31/h8-13,15-18,23,26,28-30,34-36H,14,19-22,24-25,27H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,56)/t29-,30-,34+,35-,36+/m1/s1