(phenylmethyl) N-[(2S)-1-[2-[2-[[(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]ethylamino]ethylamino]-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[2-[2-[[(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]ethylamino]ethylamino]-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate Openeye Name: benzyl N-[(5S)-5-(benzyloxycarbonylamino)-6-[2-[2-[[(2S)-2,6-bis(benzyloxycarbonylamino)hexanoyl]amino]ethylamino]ethylamino]-6-oxo-hexyl]carbamate CAS Name: N-[(2S)-1-oxo-1-[2-[2-[[(2S)-1-oxo-2,6-bis(phenylmethoxycarbonylamino)hexyl]amino]ethylamino]ethylamino]-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[2-[2-[[(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]ethylamino]ethylamino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate Traditional Name: N-[(5S)-5-(benzyloxycarbonylamino)-6-[2-[2-[[(2S)-2,6-bis(benzyloxycarbonylamino)hexanoyl]amino]ethylamino]ethylamino]-6-keto-hexyl]carbamic acid benzyl ester Formula: C48H61N7O10 MolecularWeight: 896.03884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)NCCNCCNC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC[C@@H](C(=O)NCCNCCNC(=O)[C@H](CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C48H61N7O10/c56-43(41(54-47(60)64-35-39-21-9-3-10-22-39)25-13-15-27-52-45(58)62-33-37-17-5-1-6-18-37)50-31-29-49-30-32-51-44(57)42(55-48(61)65-36-40-23-11-4-12-24-40)26-14-16-28-53-46(59)63-34-38-19-7-2-8-20-38/h1-12,17-24,41-42,49H,13-16,25-36H2,(H,50,56)(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,61)/t41-,42-/m0/s1