tert-butyl 2-[2-azanylpropanoyl-[5-[(4-cyanophenyl)amino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[2-azanylpropanoyl-[5-[(4-cyanophenyl)amino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[2-aminopropanoyl-[5-(4-cyanoanilino)-5-oxo-pentanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[(2-amino-1-oxopropyl)-[5-(4-cyanoanilino)-1,5-dioxopentyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-aminopropanoyl-[5-(4-cyanoanilino)-5-oxopentanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[alanyl-[5-(4-cyanoanilino)-5-keto-pentanoyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C28H34N4O5 MolecularWeight: 506.59336

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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)CCCC(=O)NC2=CC=C(C=C2)C#N)N

Isomeric SMILES

CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)CCCC(=O)NC2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C28H34N4O5/c1-19(30)26(35)32(23(27(36)37-28(2,3)4)17-20-9-6-5-7-10-20)25(34)12-8-11-24(33)31-22-15-13-21(18-29)14-16-22/h5-7,9-10,13-16,19,23H,8,11-12,17,30H2,1-4H3,(H,31,33)