(phenylmethyl) 2-[2-azanylpropanoyl-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[2-azanylpropanoyl-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoate Openeye Name: benzyl 2-[2-aminopropanoyl-[5-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[(2-amino-1-oxopropyl)-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-aminopropanoyl-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[alanyl-[5-(tert-butoxycarbonylamino)pentanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C29H39N3O6 MolecularWeight: 525.63646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)CCCCNC(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)CCCCNC(=O)OC(C)(C)C)N

InChI

InChI=1S/C29H39N3O6/c1-21(30)26(34)32(25(33)17-11-12-18-31-28(36)38-29(2,3)4)24(19-22-13-7-5-8-14-22)27(35)37-20-23-15-9-6-10-16-23/h5-10,13-16,21,24H,11-12,17-20,30H2,1-4H3,(H,31,36)