tert-butyl N-[[4-[3-[[(E)-3-[4-[(E)-3-[3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoylamino]prop-1-enyl]phenyl]prop-2-enyl]amino]-3-oxidanylidene-propyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[3-[[(E)-3-[4-[(E)-3-[3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoylamino]prop-1-enyl]phenyl]prop-2-enyl]amino]-3-oxidanylidene-propyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[3-[[(E)-3-[4-[(E)-3-[3-[4-[(tert-butoxycarbonylamino)methyl]phenyl]propanoylamino]prop-1-enyl]phenyl]allyl]amino]-3-oxo-propyl]phenyl]methyl]carbamate CAS Name: N-[[4-[3-[[(E)-3-[4-[(E)-3-[[3-[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-1-oxopropyl]amino]prop-1-enyl]phenyl]prop-2-enyl]amino]-3-oxopropyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[3-[[(E)-3-[4-[(E)-3-[3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoylamino]prop-1-enyl]phenyl]prop-2-enyl]amino]-3-oxopropyl]phenyl]methyl]carbamate Traditional Name: N-[4-[3-[[(E)-3-[4-[(E)-3-[3-[4-[(tert-butoxycarbonylamino)methyl]phenyl]propanoylamino]prop-1-enyl]phenyl]allyl]amino]-3-keto-propyl]benzyl]carbamic acid tert-butyl ester Formula: C42H54N4O6 MolecularWeight: 710.90136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CCC(=O)NCC=CC2=CC=C(C=C2)C=CCNC(=O)CCC3=CC=C(C=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(OC(=O)NCC1=CC=C(C=C1)CCC(=O)NC/C=C/C2=CC=C(C=C2)/C=C/CNC(=O)CCC3=CC=C(C=C3)CNC(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C42H54N4O6/c1-41(2,3)51-39(49)45-29-35-19-15-33(16-20-35)23-25-37(47)43-27-7-9-31-11-13-32(14-12-31)10-8-28-44-38(48)26-24-34-17-21-36(22-18-34)30-46-40(50)52-42(4,5)6/h7-22H,23-30H2,1-6H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)/b9-7+,10-8+