(phenylmethyl) N-[1,3-bis[3-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]-3-oxidanylidene-propoxy]-2-[[3-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]-3-oxidanylidene-propoxy]methyl]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1,3-bis[3-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]-3-oxidanylidene-propoxy]-2-[[3-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]-3-oxidanylidene-propoxy]methyl]propan-2-yl]carbamate Openeye Name: tert-butyl N-[N'-[2-[3-[2-(benzyloxycarbonylamino)-3-[3-[2-[bis(tert-butoxycarbonylamino)methyleneamino]ethylamino]-3-oxo-propoxy]-2-[[3-[2-[bis(tert-butoxycarbonylamino)methyleneamino]ethylamino]-3-oxo-propoxy]methyl]propoxy]propanoylamino]ethyl]-N-tert-butoxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[1,3-bis[3-[2-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]ethylamino]-3-oxopropoxy]-2-[[3-[2-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1,3-bis[3-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]-3-oxopropoxy]-2-[[3-[2-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]carbamate Traditional Name: N-[N'-[2-[3-[2-(benzyloxycarbonylamino)-3-[3-[2-[bis(tert-butoxycarbonylamino)methyleneamino]ethylamino]-3-keto-propoxy]-2-[[3-[2-[bis(tert-butoxycarbonylamino)methyleneamino]ethylamino]-3-keto-propoxy]methyl]propoxy]propanoylamino]ethyl]-N-tert-butoxycarbonyl-amidino]carbamic acid tert-butyl ester Formula: C60H101N13O20 MolecularWeight: 1324.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCNC(=O)CCOCC(COCCC(=O)NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)(COCCC(=O)NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCNC(=O)CCOCC(COCCC(=O)NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)(COCCC(=O)NCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C60H101N13O20/c1-54(2,3)88-47(77)67-44(68-48(78)89-55(4,5)6)64-30-27-61-41(74)24-33-84-37-60(73-53(83)87-36-40-22-20-19-21-23-40,38-85-34-25-42(75)62-28-31-65-45(69-49(79)90-56(7,8)9)70-50(80)91-57(10,11)12)39-86-35-26-43(76)63-29-32-66-46(71-51(81)92-58(13,14)15)72-52(82)93-59(16,17)18/h19-23H,24-39H2,1-18H3,(H,61,74)(H,62,75)(H,63,76)(H,73,83)(H2,64,67,68,77,78)(H2,65,69,70,79,80)(H2,66,71,72,81,82)