methyl (2S,3S,6R)-6-[4-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-pyrimidin-1-yl]-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[methyl-[(E)-N,N,N'-tris[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylate

Systemtic Name: methyl (2S,3S,6R)-6-[4-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-pyrimidin-1-yl]-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[methyl-[(E)-N,N,N'-tris[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylate Openeye Name: methyl (2S,3S,6R)-3-[[(3S)-3-(tert-butoxycarbonylamino)-5-[methyl-[(E)-N,N,N'-tris(tert-butoxycarbonyl)carbamimidoyl]amino]pentanoyl]amino]-6-[4-[(4-tert-butylbenzoyl)amino]-2-oxo-pyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylate CAS Name: (2S,3S,6R)-3-[[(3S)-5-[[(E)-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]-methylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-6-[4-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-oxo-1-pyrimidinyl]-3,6-dihydro-2H-pyran-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,3S,6R)-6-[4-[(4-tert-butylbenzoyl)amino]-2-oxopyrimidin-1-yl]-3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[methyl-[(E)-N,N,N'-tris[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylate Traditional Name: (2S,3S,6R)-3-[[(3S)-3-(tert-butoxycarbonylamino)-5-[methyl-[(E)-N,N,N'-tris(tert-butoxycarbonyl)amidino]amino]pentanoyl]amino]-6-[4-[(4-tert-butylbenzoyl)amino]-2-keto-pyrimidin-1-yl]-3,6-dihydro-2H-pyran-2-carboxylic acid methyl ester Formula: C49H72N8O14 MolecularWeight: 997.14118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)C3C=CC(C(O3)C(=O)OC)NC(=O)CC(CCN(C)C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C=C[C@@H]([C@H](O3)C(=O)OC)NC(=O)C[C@H](CCN(C)/C(=N\C(=O)OC(C)(C)C)/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C49H72N8O14/c1-45(2,3)30-20-18-29(19-21-30)37(59)52-33-25-27-56(40(61)53-33)35-23-22-32(36(67-35)38(60)66-17)51-34(58)28-31(50-41(62)68-46(4,5)6)24-26-55(16)39(54-42(63)69-47(7,8)9)57(43(64)70-48(10,11)12)44(65)71-49(13,14)15/h18-23,25,27,31-32,35-36H,24,26,28H2,1-17H3,(H,50,62)(H,51,58)(H,52,53,59,61)/b54-39+/t31-,32-,35+,36-/m0/s1