4-[3-[4-[3-[[4-(cyclohexylamino)-4-oxidanylidene-butyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-ynyl]phenyl]prop-2-ynyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

Systemtic Name: 4-[3-[4-[3-[[4-(cyclohexylamino)-4-oxidanylidene-butyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-ynyl]phenyl]prop-2-ynyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid Openeye Name: 4-[tert-butoxycarbonyl-[3-[4-[3-[tert-butoxycarbonyl-[4-(cyclohexylamino)-4-oxo-butyl]amino]prop-1-ynyl]phenyl]prop-2-ynyl]amino]butanoic acid CAS Name: 4-[3-[4-[3-[[4-(cyclohexylamino)-4-oxobutyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-ynyl]phenyl]prop-2-ynyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-[3-[4-[3-[[4-(cyclohexylamino)-4-oxobutyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-ynyl]phenyl]prop-2-ynyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid Traditional Name: 4-[tert-butoxycarbonyl-[3-[4-[3-[tert-butoxycarbonyl-[4-(cyclohexylamino)-4-keto-butyl]amino]prop-1-ynyl]phenyl]prop-2-ynyl]amino]butyric acid Formula: C36H51N3O7 MolecularWeight: 637.80604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCC(=O)NC1CCCCC1)CC#CC2=CC=C(C=C2)C#CCN(CCCC(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCC(=O)NC1CCCCC1)CC#CC2=CC=C(C=C2)C#CCN(CCCC(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C36H51N3O7/c1-35(2,3)45-33(43)38(26-12-18-31(40)37-30-16-8-7-9-17-30)24-10-14-28-20-22-29(23-21-28)15-11-25-39(27-13-19-32(41)42)34(44)46-36(4,5)6/h20-23,30H,7-9,12-13,16-19,24-27H2,1-6H3,(H,37,40)(H,41,42)