methyl 2-[[2-[chloranyl(phenylmethoxycarbonyl)amino]-4-methyl-pentanoyl]amino]hexanoate

Systemtic Name: methyl 2-[[2-[chloranyl(phenylmethoxycarbonyl)amino]-4-methyl-pentanoyl]amino]hexanoate Openeye Name: methyl 2-[[2-[benzyloxycarbonyl(chloro)amino]-4-methyl-pentanoyl]amino]hexanoate CAS Name: 2-[[2-[chloro(phenylmethoxycarbonyl)amino]-4-methyl-1-oxopentyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[chloro(phenylmethoxycarbonyl)amino]-4-methylpentanoyl]amino]hexanoate Traditional Name: 2-[[2-[carbobenzoxy(chloro)amino]-4-methyl-pentanoyl]amino]hexanoic acid methyl ester Formula: C21H31ClN2O5 MolecularWeight: 426.93424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)C(CC(C)C)N(C(=O)OCC1=CC=CC=C1)Cl

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)C(CC(C)C)N(C(=O)OCC1=CC=CC=C1)Cl

InChI

InChI=1S/C21H31ClN2O5/c1-5-6-12-17(20(26)28-4)23-19(25)18(13-15(2)3)24(22)21(27)29-14-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3,(H,23,25)