(phenylmethyl) N-[(2S)-1-[[(2S,3R,4S,5S)-3,4-bis(oxidanyl)-1,6-diphenyl-5-[[2-(pyridin-2-ylmethoxycarbonylamino)phenyl]carbonylamino]hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(2S,3R,4S,5S)-3,4-bis(oxidanyl)-1,6-diphenyl-5-[[2-(pyridin-2-ylmethoxycarbonylamino)phenyl]carbonylamino]hexan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: 2-pyridylmethyl N-[2-[[(1S,2S,3R,4S)-1-benzyl-4-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]carbamoyl]phenyl]carbamate CAS Name: N-[2-[[[(2S,3S,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1,6-diphenylhexan-2-yl]amino]-oxomethyl]phenyl]carbamic acid 2-pyridinylmethyl ester IUPAC Name: benzyl N-[(2S)-1-[[(2S,3R,4S,5S)-3,4-dihydroxy-1,6-diphenyl-5-[[2-(pyridin-2-ylmethoxycarbonylamino)benzoyl]amino]hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[2-[[(1S,2S,3R,4S)-1-benzyl-4-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2,3-dihydroxy-5-phenyl-pentyl]carbamoyl]phenyl]carbamic acid 2-pyridylmethyl ester Formula: C45H49N5O8 MolecularWeight: 787.89926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)OCC4=CC=CC=N4)O)O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)OCC4=CC=CC=N4)O)O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C45H49N5O8/c1-30(2)39(50-45(56)57-28-33-20-10-5-11-21-33)43(54)48-38(27-32-18-8-4-9-19-32)41(52)40(51)37(26-31-16-6-3-7-17-31)47-42(53)35-23-12-13-24-36(35)49-44(55)58-29-34-22-14-15-25-46-34/h3-25,30,37-41,51-52H,26-29H2,1-2H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t37-,38-,39-,40-,41+/m0/s1