(2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[(2S)-1-[[2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]ethanoyl]pyrrolidine-2-carboxamide dihydrobromide

Systemtic Name: (2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[(2S)-1-[[2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]ethanoyl]pyrrolidine-2-carboxamide dihydrobromide Openeye Name: (2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[(1S)-1-[[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylamino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carboxamide dihydrobromide CAS Name: (2S)-1-[2-[[(2S)-2-[[[(2S)-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[[(2S)-1-[[2-[(2S)-2-carbamoyl-1-pyrrolidinyl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-2-oxoethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethylamino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxamide dihydrobromide IUPAC Name: (2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[(2S)-1-[[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carboxamide dihydrobromide Traditional Name: (2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-[2-[[4-[2-[[2-[(2S)-2-[[(1S)-1-[[2-[(2S)-2-carbamoylpyrrolidino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidino]-2-keto-ethyl]amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]acetyl]prolyl]amino]-4-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carboxamide dihydrobromide Formula: C58H84Br2N14O14 MolecularWeight: 1361.18096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)N)NC(=O)C2CCCN2C(=O)CNCCNC3=C4C(=C(C=C3)NCCNCC(=O)N5CCCC5C(=O)NC(CC(C)C)C(=O)NCC(=O)N6CCCC6C(=O)N)C(=O)C7=C(C=CC(=C7C4=O)O)O.Br.Br

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)CNCCNC3=C4C(=C(C=C3)NCCNCC(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N6CCC[C@H]6C(=O)N)C(=O)C7=C(C=CC(=C7C4=O)O)O.Br.Br

InChI

InChI=1S/C58H82N14O14.2BrH/c1-31(2)25-35(55(83)65-29-45(77)69-21-5-9-37(69)53(59)81)67-57(85)39-11-7-23-71(39)43(75)27-61-17-19-63-33-13-14-34(48-47(33)51(79)49-41(73)15-16-42(74)50(49)52(48)80)64-20-18-62-28-44(76)72-24-8-12-40(72)58(86)68-36(26-32(3)4)56(84)66-30-46(78)70-22-6-10-38(70)54(60)82;;/h13-16,31-32,35-40,61-64,73-74H,5-12,17-30H2,1-4H3,(H2,59,81)(H2,60,82)(H,65,83)(H,66,84)(H,67,85)(H,68,86);2*1H/t35-,36-,37-,38-,39-,40-;;/m0../s1