[(2R)-2-[[4-[5-[[(1S)-2-(2-azanyl-2-methyl-propanoyl)oxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]butyl] 2-azanyl-2-methyl-propanoate

Systemtic Name: [(2R)-2-[[4-[5-[[(1S)-2-(2-azanyl-2-methyl-propanoyl)oxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]butyl] 2-azanyl-2-methyl-propanoate Openeye Name: [(2R)-2-[[4-[5-[[(1S)-2-(2-amino-2-methyl-propanoyl)oxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]butyl] 2-amino-2-methyl-propanoate CAS Name: 2-amino-2-methylpropanoic acid [(2R)-2-[[4-[5-[[[(1S)-2-(2-amino-2-methyl-1-oxopropoxy)-1-(3-chlorophenyl)ethyl]amino]-oxomethyl]-1H-pyrrol-3-yl]-5-methyl-2-pyrimidinyl]amino]butyl] ester IUPAC Name: [(2R)-2-[[4-[5-[[(1S)-2-(2-amino-2-methylpropanoyl)oxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 2-amino-2-methylpropanoate Traditional Name: 2-amino-2-methyl-propionic acid [(2R)-2-[[4-[5-[[(1S)-2-(2-amino-2-methyl-propanoyl)oxy-1-(3-chlorophenyl)ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]butyl] ester Formula: C30H40ClN7O5 MolecularWeight: 614.1355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C(C)(C)N)NC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)NC(COC(=O)C(C)(C)N)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC[C@H](COC(=O)C(C)(C)N)NC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)N[C@H](COC(=O)C(C)(C)N)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C30H40ClN7O5/c1-7-21(15-42-26(40)29(3,4)32)36-28-35-13-17(2)24(38-28)19-12-22(34-14-19)25(39)37-23(16-43-27(41)30(5,6)33)18-9-8-10-20(31)11-18/h8-14,21,23,34H,7,15-16,32-33H2,1-6H3,(H,37,39)(H,35,36,38)/t21-,23-/m1/s1