(phenylmethyl) N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-[[3-[[4-[3-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoylamino]phenyl]amino]-3-oxidanylidene-propyl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-[[3-[[4-[3-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoylamino]phenyl]amino]-3-oxidanylidene-propyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[[3-[4-[3-[[(2S)-2-(benzyloxycarbonylamino)-3-tert-butoxy-propanoyl]amino]propanoylamino]anilino]-3-oxo-propyl]amino]-1-(tert-butoxymethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-[[3-[4-[[3-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-oxopropyl]amino]anilino]-3-oxopropyl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-[[3-[4-[3-[[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoylamino]anilino]-3-oxopropyl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[3-[4-[3-[[(2S)-2-(benzyloxycarbonylamino)-3-tert-butoxy-propanoyl]amino]propanoylamino]anilino]-3-keto-propyl]amino]-1-(tert-butoxymethyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C42H56N6O10 MolecularWeight: 804.92824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)NCCC(=O)NC1=CC=C(C=C1)NC(=O)CCNC(=O)C(COC(C)(C)C)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC[C@@H](C(=O)NCCC(=O)NC1=CC=C(C=C1)NC(=O)CCNC(=O)[C@H](COC(C)(C)C)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C42H56N6O10/c1-41(2,3)57-27-33(47-39(53)55-25-29-13-9-7-10-14-29)37(51)43-23-21-35(49)45-31-17-19-32(20-18-31)46-36(50)22-24-44-38(52)34(28-58-42(4,5)6)48-40(54)56-26-30-15-11-8-12-16-30/h7-20,33-34H,21-28H2,1-6H3,(H,43,51)(H,44,52)(H,45,49)(H,46,50)(H,47,53)(H,48,54)/t33-,34-/m0/s1