(phenylmethyl) 2-[[(2R)-2-[[(2S)-2-[(4-methoxyphenoxy)carbonylamino]-3-phenyl-propanoyl]amino]-3-[[(2R)-2-[[(2S)-2-[(4-methoxyphenoxy)carbonylamino]-3-phenyl-propanoyl]amino]-3-oxidanylidene-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]propyl]disulfanyl]propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(2R)-2-[[(2S)-2-[(4-methoxyphenoxy)carbonylamino]-3-phenyl-propanoyl]amino]-3-[[(2R)-2-[[(2S)-2-[(4-methoxyphenoxy)carbonylamino]-3-phenyl-propanoyl]amino]-3-oxidanylidene-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]propyl]disulfanyl]propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[(2R)-3-[[(2R)-3-[(2-benzyloxy-2-oxo-ethyl)amino]-2-[[(2S)-2-[(4-methoxyphenoxy)carbonylamino]-3-phenyl-propanoyl]amino]-3-oxo-propyl]disulfanyl]-2-[[(2S)-2-[(4-methoxyphenoxy)carbonylamino]-3-phenyl-propanoyl]amino]propanoyl]amino]acetate CAS Name: 2-[[(2R)-2-[[(2S)-2-[[(4-methoxyphenoxy)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-[[(2R)-2-[[(2S)-2-[[(4-methoxyphenoxy)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]propyl]disulfanyl]-1-oxopropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2R)-2-[[(2S)-2-[(4-methoxyphenoxy)carbonylamino]-3-phenylpropanoyl]amino]-3-[[(2R)-2-[[(2S)-2-[(4-methoxyphenoxy)carbonylamino]-3-phenylpropanoyl]amino]-3-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]propyl]disulfanyl]propanoyl]amino]acetate Traditional Name: 2-[[(2R)-3-[[(2R)-3-[(2-benzoxy-2-keto-ethyl)amino]-3-keto-2-[[(2S)-2-[(4-methoxyphenoxy)carbonylamino]-3-phenyl-propanoyl]amino]propyl]disulfanyl]-2-[[(2S)-2-[(4-methoxyphenoxy)carbonylamino]-3-phenyl-propanoyl]amino]propanoyl]amino]acetic acid benzyl ester Formula: C58H60N6O14S2 MolecularWeight: 1129.2588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CSSCC(C(=O)NCC(=O)OCC3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)OC5=CC=C(C=C5)OC)C(=O)NCC(=O)OCC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)OCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)OC5=CC=C(C=C5)OC)C(=O)NCC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C58H60N6O14S2/c1-73-43-23-27-45(28-24-43)77-57(71)63-47(31-39-15-7-3-8-16-39)55(69)61-49(53(67)59-33-51(65)75-35-41-19-11-5-12-20-41)37-79-80-38-50(54(68)60-34-52(66)76-36-42-21-13-6-14-22-42)62-56(70)48(32-40-17-9-4-10-18-40)64-58(72)78-46-29-25-44(74-2)26-30-46/h3-30,47-50H,31-38H2,1-2H3,(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,71)(H,64,72)/t47-,48-,49-,50-/m0/s1