methyl (4S,5R)-5-[3-[(2S,3S)-2-[[(2S)-2-azido-3-methyl-butanoyl]amino]-3-methyl-1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-3-yl]oxy-4-phenylmethoxy-phenyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

Systemtic Name: methyl (4S,5R)-5-[3-[(2S,3S)-2-[[(2S)-2-azido-3-methyl-butanoyl]amino]-3-methyl-1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-pentan-3-yl]oxy-4-phenylmethoxy-phenyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate Openeye Name: methyl (4S,5R)-5-[3-[(1S,2S)-2-[[(2S)-2-azido-3-methyl-butanoyl]amino]-3-[(2-tert-butoxy-2-oxo-ethyl)amino]-1-ethyl-1-methyl-3-oxo-propoxy]-4-benzyloxy-phenyl]-2-(4-methoxyphenyl)-4,5-dihydrooxazole-4-carboxylate CAS Name: (4S,5R)-5-[3-[(2S,3S)-2-[[(2S)-2-azido-3-methyl-1-oxobutyl]amino]-3-methyl-1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopentan-3-yl]oxy-4-phenylmethoxyphenyl]-2-(4-methoxyphenyl)-4,5-dihydrooxazole-4-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-5-[3-[(2S,3S)-2-[[(2S)-2-azido-3-methylbutanoyl]amino]-3-methyl-1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1-oxopentan-3-yl]oxy-4-phenylmethoxyphenyl]-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate Traditional Name: (4S,5R)-5-[3-[(1S,2S)-2-[[(2S)-2-azido-3-methyl-butanoyl]amino]-3-[(2-tert-butoxy-2-keto-ethyl)amino]-1-ethyl-3-keto-1-methyl-propoxy]-4-benzoxy-phenyl]-2-(4-methoxyphenyl)-2-oxazoline-4-carboxylic acid methyl ester Formula: C42H52N6O10 MolecularWeight: 800.89648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(C(=O)NCC(=O)OC(C)(C)C)NC(=O)C(C(C)C)N=[N+]=[N-])OC1=C(C=CC(=C1)C2C(N=C(O2)C3=CC=C(C=C3)OC)C(=O)OC)OCC4=CC=CC=C4

Isomeric SMILES

CC[C@@](C)([C@@H](C(=O)NCC(=O)OC(C)(C)C)NC(=O)[C@H](C(C)C)N=[N+]=[N-])OC1=C(C=CC(=C1)[C@@H]2[C@H](N=C(O2)C3=CC=C(C=C3)OC)C(=O)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C42H52N6O10/c1-10-42(7,36(46-37(50)33(25(2)3)47-48-43)38(51)44-23-32(49)58-41(4,5)6)57-31-22-28(18-21-30(31)55-24-26-14-12-11-13-15-26)35-34(40(52)54-9)45-39(56-35)27-16-19-29(53-8)20-17-27/h11-22,25,33-36H,10,23-24H2,1-9H3,(H,44,51)(H,46,50)/t33-,34-,35+,36+,42-/m0/s1