tert-butyl 2-[4-methylpentanoyl-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]amino]-5-phenyl-pentanoate

Systemtic Name: tert-butyl 2-[4-methylpentanoyl-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]amino]-5-phenyl-pentanoate Openeye Name: tert-butyl 2-[[2-(benzyloxycarbonylamino)propanoyl-isobutyl-amino]-(4-methylpentanoyl)amino]-5-phenyl-pentanoate CAS Name: 2-[(4-methyl-1-oxopentyl)-[2-methylpropyl-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]amino]-5-phenylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-methylpentanoyl-[2-methylpropyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]amino]-5-phenylpentanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)propanoyl-isobutyl-amino]-(4-methylpentanoyl)amino]-5-phenyl-valeric acid tert-butyl ester Formula: C36H53N3O6 MolecularWeight: 623.82252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CCCC1=CC=CC=C1)C(=O)OC(C)(C)C)N(CC(C)C)C(=O)C(C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCC(=O)N(C(CCCC1=CC=CC=C1)C(=O)OC(C)(C)C)N(CC(C)C)C(=O)C(C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C36H53N3O6/c1-26(2)22-23-32(40)39(31(34(42)45-36(6,7)8)21-15-20-29-16-11-9-12-17-29)38(24-27(3)4)33(41)28(5)37-35(43)44-25-30-18-13-10-14-19-30/h9-14,16-19,26-28,31H,15,20-25H2,1-8H3,(H,37,43)