methyl 3-azanyl-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate

Systemtic Name: methyl 3-azanyl-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate Openeye Name: methyl 3-amino-4-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]benzoate CAS Name: 3-amino-4-[[4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]benzoate Traditional Name: 3-amino-4-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]benzoic acid methyl ester Formula: C19H29N3O5 MolecularWeight: 379.45066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=C(C=C(C=C1)C(=O)OC)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC1=C(C=C(C=C1)C(=O)OC)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H29N3O5/c1-11(2)9-15(22-18(25)27-19(3,4)5)16(23)21-14-8-7-12(10-13(14)20)17(24)26-6/h7-8,10-11,15H,9,20H2,1-6H3,(H,21,23)(H,22,25)