tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-2-(1H-benzimidazol-2-ylmethoxycarbonylamino)-3-methyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-2-(1H-benzimidazol-2-ylmethoxycarbonylamino)-3-methyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-3-[[(2R,3S)-3-[[(2S)-2-(1H-benzimidazol-2-ylmethoxycarbonylamino)-3-methyl-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-2-[[1H-benzimidazol-2-ylmethoxy(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[[(2S)-2-(1H-benzimidazol-2-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-3-[[(2R,3S)-3-[[(2S)-2-(1H-benzimidazol-2-ylmethoxycarbonylamino)-3-methyl-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]amino]-1-benzyl-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C39H52N6O7 MolecularWeight: 716.86618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CNCC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)OCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)NC(=O)OCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C39H52N6O7/c1-25(2)35(45-37(49)51-24-34-41-28-18-12-13-19-29(28)42-34)36(48)43-30(20-26-14-8-6-9-15-26)32(46)22-40-23-33(47)31(21-27-16-10-7-11-17-27)44-38(50)52-39(3,4)5/h6-19,25,30-33,35,40,46-47H,20-24H2,1-5H3,(H,41,42)(H,43,48)(H,44,50)(H,45,49)/t30-,31-,32+,33+,35-/m0/s1