6-[4-[(2-methylpropan-2-yl)oxycarbonyl-[(2-phenylphenyl)methyl]amino]butylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[4-[(2-methylpropan-2-yl)oxycarbonyl-[(2-phenylphenyl)methyl]amino]butylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[4-[tert-butoxycarbonyl-[(2-phenylphenyl)methyl]amino]butylamino]-6-oxo-hexanoic acid CAS Name: 6-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(2-phenylphenyl)methyl]amino]butylamino]-6-oxohexanoic acid IUPAC Name: 6-[4-[(2-methylpropan-2-yl)oxycarbonyl-[(2-phenylphenyl)methyl]amino]butylamino]-6-oxohexanoic acid Traditional Name: 6-[4-[tert-butoxycarbonyl-(2-phenylbenzyl)amino]butylamino]-6-keto-hexanoic acid Formula: C28H38N2O5 MolecularWeight: 482.61172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCNC(=O)CCCCC(=O)O)CC1=CC=CC=C1C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCNC(=O)CCCCC(=O)O)CC1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C28H38N2O5/c1-28(2,3)35-27(34)30(20-12-11-19-29-25(31)17-9-10-18-26(32)33)21-23-15-7-8-16-24(23)22-13-5-4-6-14-22/h4-8,13-16H,9-12,17-21H2,1-3H3,(H,29,31)(H,32,33)