(phenylmethyl) N-[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(E,3S)-6-oxidanylidene-1-(phenylsulfonyl)-6-[(triphenylmethyl)amino]hex-1-en-3-yl]amino]-3-phenyl-propan-2-yl]amino]pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(E,3S)-6-oxidanylidene-1-(phenylsulfonyl)-6-[(triphenylmethyl)amino]hex-1-en-3-yl]amino]-3-phenyl-propan-2-yl]amino]pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S)-2-[[(1S)-1-[(E)-2-(benzenesulfonyl)vinyl]-4-oxo-4-(tritylamino)butyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-6-oxo-6-[(triphenylmethyl)amino]hex-1-en-3-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,3S)-1-(benzenesulfonyl)-6-oxo-6-(tritylamino)hex-1-en-3-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)-3-besyl-1-[3-keto-3-(tritylamino)propyl]allyl]amino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C54H56N4O7S MolecularWeight: 905.11004

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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=CS(=O)(=O)C5=CC=CC=C5)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/S(=O)(=O)C5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C54H56N4O7S/c1-40(2)37-48(57-53(62)65-39-42-23-11-4-12-24-42)52(61)56-49(38-41-21-9-3-10-22-41)51(60)55-46(35-36-66(63,64)47-31-19-8-20-32-47)33-34-50(59)58-54(43-25-13-5-14-26-43,44-27-15-6-16-28-44)45-29-17-7-18-30-45/h3-32,35-36,40,46,48-49H,33-34,37-39H2,1-2H3,(H,55,60)(H,56,61)(H,57,62)(H,58,59)/b36-35+/t46-,48-,49-/m0/s1