tert-butyl N-[3-azanyl-2-(hydroxymethyl)-4-oxidanylidene-4-[6-(4-phenylmethoxyphenyl)hexanoylamino]butyl]carbamate

Systemtic Name: tert-butyl N-[3-azanyl-2-(hydroxymethyl)-4-oxidanylidene-4-[6-(4-phenylmethoxyphenyl)hexanoylamino]butyl]carbamate Openeye Name: tert-butyl N-[3-amino-4-[6-(4-benzyloxyphenyl)hexanoylamino]-2-(hydroxymethyl)-4-oxo-butyl]carbamate CAS Name: N-[3-amino-2-(hydroxymethyl)-4-oxo-4-[[1-oxo-6-(4-phenylmethoxyphenyl)hexyl]amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-amino-2-(hydroxymethyl)-4-oxo-4-[6-(4-phenylmethoxyphenyl)hexanoylamino]butyl]carbamate Traditional Name: N-[3-amino-4-[6-(4-benzoxyphenyl)hexanoylamino]-4-keto-2-methylol-butyl]carbamic acid tert-butyl ester Formula: C29H41N3O6 MolecularWeight: 527.65234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CO)C(C(=O)NC(=O)CCCCCC1=CC=C(C=C1)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CO)C(C(=O)NC(=O)CCCCCC1=CC=C(C=C1)OCC2=CC=CC=C2)N

InChI

InChI=1S/C29H41N3O6/c1-29(2,3)38-28(36)31-18-23(19-33)26(30)27(35)32-25(34)13-9-5-6-10-21-14-16-24(17-15-21)37-20-22-11-7-4-8-12-22/h4,7-8,11-12,14-17,23,26,33H,5-6,9-10,13,18-20,30H2,1-3H3,(H,31,36)(H,32,34,35)