tert-butyl (2S)-5-azanyl-2-[2-azanylethanoyl(phenylmethoxycarbonyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (2S)-5-azanyl-2-[2-azanylethanoyl(phenylmethoxycarbonyl)amino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl (2S)-5-amino-2-[(2-aminoacetyl)-benzyloxycarbonyl-amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[(2-amino-1-oxoethyl)-phenylmethoxycarbonylamino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-amino-2-[(2-aminoacetyl)-phenylmethoxycarbonylamino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[carbobenzoxy(glycyl)amino]-5-keto-valeric acid tert-butyl ester Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)N)N(C(=O)CN)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCC(=O)N)N(C(=O)CN)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H27N3O6/c1-19(2,3)28-17(25)14(9-10-15(21)23)22(16(24)11-20)18(26)27-12-13-7-5-4-6-8-13/h4-8,14H,9-12,20H2,1-3H3,(H2,21,23)/t14-/m0/s1