methyl 2-[(4-methoxyphenyl)methyl]-5-[[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]pyrazole-3-carboxylate

Systemtic Name: methyl 2-[(4-methoxyphenyl)methyl]-5-[[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]pyrazole-3-carboxylate Openeye Name: methyl 5-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate CAS Name: 2-[(4-methoxyphenyl)methyl]-5-[[(2S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]hexyl]amino]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxyphenyl)methyl]-5-[[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]pyrazole-3-carboxylate Traditional Name: 5-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-2-p-anisyl-pyrazole-3-carboxylic acid methyl ester Formula: C41H50N6O9 MolecularWeight: 770.8705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)NC1=NN(C(=C1)C(=O)OC)CC2=CC=C(C=C2)OC)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)NC1=NN(C(=C1)C(=O)OC)CC2=CC=C(C=C2)OC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C41H50N6O9/c1-41(2,3)56-39(51)42-23-13-12-18-32(36(48)45-35-25-34(38(50)54-5)47(46-35)26-29-19-21-31(53-4)22-20-29)43-37(49)33(24-28-14-8-6-9-15-28)44-40(52)55-27-30-16-10-7-11-17-30/h6-11,14-17,19-22,25,32-33H,12-13,18,23-24,26-27H2,1-5H3,(H,42,51)(H,43,49)(H,44,52)(H,45,46,48)/t32-,33-/m0/s1