(phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(E,4S)-1-(furan-2-yl)-1,7-bis(oxidanylidene)-7-[(triphenylmethyl)amino]hept-2-en-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(E,4S)-1-(furan-2-yl)-1,7-bis(oxidanylidene)-7-[(triphenylmethyl)amino]hept-2-en-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S)-1-benzyl-2-[[(E,1S)-4-(2-furyl)-4-oxo-1-[3-oxo-3-(tritylamino)propyl]but-2-enyl]amino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(E,4S)-1-(2-furanyl)-1,7-dioxo-7-[(triphenylmethyl)amino]hept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-[[(E,4S)-1-(furan-2-yl)-1,7-dioxo-7-(tritylamino)hept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-benzyl-2-[[(E,1S)-4-(2-furyl)-4-keto-1-[3-keto-3-(tritylamino)propyl]but-2-enyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C53H54N4O7 MolecularWeight: 859.01846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=O)C5=CC=CO5)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C=C/C(=O)C5=CC=CO5)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C53H54N4O7/c1-38(2)35-45(56-52(62)64-37-40-21-10-4-11-22-40)51(61)55-46(36-39-19-8-3-9-20-39)50(60)54-44(30-32-47(58)48-29-18-34-63-48)31-33-49(59)57-53(41-23-12-5-13-24-41,42-25-14-6-15-26-42)43-27-16-7-17-28-43/h3-30,32,34,38,44-46H,31,33,35-37H2,1-2H3,(H,54,60)(H,55,61)(H,56,62)(H,57,59)/b32-30+/t44-,45+,46+/m1/s1