methyl 3-[[2,3-bis(chloranyl)-4-[1-methyl-5-[1-[2-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]ethanoyl]piperidin-4-yl]pyrazol-3-yl]phenoxy]methyl]benzoate

Systemtic Name: methyl 3-[[2,3-bis(chloranyl)-4-[1-methyl-5-[1-[2-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]ethanoyl]piperidin-4-yl]pyrazol-3-yl]phenoxy]methyl]benzoate Openeye Name: methyl 3-[[4-[5-[1-[2-[[(2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]acetyl]-4-piperidyl]-1-methyl-pyrazol-3-yl]-2,3-dichloro-phenoxy]methyl]benzoate CAS Name: 3-[[2,3-dichloro-4-[1-methyl-5-[1-[2-[[(2R)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]-4-piperidinyl]-3-pyrazolyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2,3-dichloro-4-[1-methyl-5-[1-[2-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetyl]piperidin-4-yl]pyrazol-3-yl]phenoxy]methyl]benzoate Traditional Name: 3-[[4-[5-[1-[2-[[(2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]acetyl]-4-piperidyl]-1-methyl-pyrazol-3-yl]-2,3-dichloro-phenoxy]methyl]benzoic acid methyl ester Formula: C37H47Cl2N5O7 MolecularWeight: 744.70438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N1CCC(CC1)C2=CC(=NN2C)C3=C(C(=C(C=C3)OCC4=CC=CC(=C4)C(=O)OC)Cl)Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)C2=CC(=NN2C)C3=C(C(=C(C=C3)OCC4=CC=CC(=C4)C(=O)OC)Cl)Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C37H47Cl2N5O7/c1-22(2)17-28(41-36(48)51-37(3,4)5)34(46)40-20-31(45)44-15-13-24(14-16-44)29-19-27(42-43(29)6)26-11-12-30(33(39)32(26)38)50-21-23-9-8-10-25(18-23)35(47)49-7/h8-12,18-19,22,24,28H,13-17,20-21H2,1-7H3,(H,40,46)(H,41,48)/t28-/m1/s1