tert-butyl N-[1-[[1-[[4-methyl-1-[2-[[4-[2-[[4-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]pentanoyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[1-[[4-methyl-1-[2-[[4-[2-[[4-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]pentanoyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[2-[[1-[2-[[4-[2-[[2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]-4-methyl-pentanoyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[[1-[[1-[2-[[5,8-dihydroxy-4-[2-[[4-methyl-2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]ethylamino]-9,10-dioxo-1-anthracenyl]amino]ethylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[1-[[1-[2-[[5,8-dihydroxy-4-[2-[[4-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]pentanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[2-[[1-[2-[[4-[2-[[2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]-4-methyl-pentanoyl]amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylcarbamoyl]-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C52H78N10O14 MolecularWeight: 1067.23432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C52H78N10O14/c1-25(2)23-33(61-45(69)27(5)57-43(67)29(7)59-49(73)75-51(9,10)11)47(71)55-21-19-53-31-15-16-32(38-37(31)41(65)39-35(63)17-18-36(64)40(39)42(38)66)54-20-22-56-48(72)34(24-26(3)4)62-46(70)28(6)58-44(68)30(8)60-50(74)76-52(12,13)14/h15-18,25-30,33-34,53-54,63-64H,19-24H2,1-14H3,(H,55,71)(H,56,72)(H,57,67)(H,58,68)(H,59,73)(H,60,74)(H,61,69)(H,62,70)