(phenylmethyl) N-[(2R)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2R)-2-(cyclohexa-1,5-dien-1-ylmethoxycarbonylamino)-3-sulfanylidene-butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-oxidanylidene-3-sulfanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2R)-2-(cyclohexa-1,5-dien-1-ylmethoxycarbonylamino)-3-sulfanylidene-butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-oxidanylidene-3-sulfanylidene-butan-2-yl]carbamate Openeye Name: cyclohexa-1,5-dien-1-ylmethyl N-[(1R)-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2R)-2-(benzyloxycarbonylamino)-3-thioxo-butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]carbamoyl]-2-thioxo-propyl]carbamate CAS Name: N-[(2R)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2R)-2-[[1-cyclohexa-1,5-dienylmethoxy(oxo)methyl]amino]-1-oxo-3-sulfanylidenebutyl]amino]-2-phenylethyl]-2-oxiranyl]-2-phenylethyl]amino]-1-oxo-3-sulfanylidenebutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2R)-2-(cyclohexa-1,5-dien-1-ylmethoxycarbonylamino)-3-sulfanylidenebutanoyl]amino]-2-phenylethyl]oxiran-2-yl]-2-phenylethyl]amino]-1-oxo-3-sulfanylidenebutan-2-yl]carbamate Traditional Name: N-[(1R)-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2R)-2-(benzyloxycarbonylamino)-3-thioxo-butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]carbamoyl]-2-thioxo-propyl]carbamic acid cyclohexa-1,5-dien-1-ylmethyl ester Formula: C42H46N4O7S2 MolecularWeight: 782.96724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C(C(=O)NC(CC1=CC=CC=C1)C2C(O2)C(CC3=CC=CC=C3)NC(=O)C(C(=S)C)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CCCC=C5

Isomeric SMILES

CC(=S)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(=S)C)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CCCC=C5

InChI

InChI=1S/C42H46N4O7S2/c1-27(54)35(45-41(49)51-25-31-19-11-5-12-20-31)39(47)43-33(23-29-15-7-3-8-16-29)37-38(53-37)34(24-30-17-9-4-10-18-30)44-40(48)36(28(2)55)46-42(50)52-26-32-21-13-6-14-22-32/h3-5,7-13,15-22,33-38H,6,14,23-26H2,1-2H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)/t33-,34-,35-,36-,37+,38-/m0/s1