tert-butyl 2-[2-(2-azanylethanoylamino)propanoyl-[2-(4-cyanophenoxy)ethanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[2-(2-azanylethanoylamino)propanoyl-[2-(4-cyanophenoxy)ethanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[2-[(2-aminoacetyl)amino]propanoyl-[2-(4-cyanophenoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxopropyl]-[2-(4-cyanophenoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(2-aminoacetyl)amino]propanoyl-[2-(4-cyanophenoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(4-cyanophenoxy)acetyl]-[2-(glycylamino)propanoyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C27H32N4O6 MolecularWeight: 508.56618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)COC2=CC=C(C=C2)C#N)NC(=O)CN

Isomeric SMILES

CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)COC2=CC=C(C=C2)C#N)NC(=O)CN

InChI

InChI=1S/C27H32N4O6/c1-18(30-23(32)16-29)25(34)31(24(33)17-36-21-12-10-20(15-28)11-13-21)22(26(35)37-27(2,3)4)14-19-8-6-5-7-9-19/h5-13,18,22H,14,16-17,29H2,1-4H3,(H,30,32)