(2S)-2-[2-[2-[2-[[4-[2-[[2-[[2-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]ethanoylamino]ethanoylamino]-4-methyl-pentanamide dihydrobromide

Systemtic Name: (2S)-2-[2-[2-[2-[[4-[2-[[2-[[2-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]ethanoylamino]ethanoylamino]-4-methyl-pentanamide dihydrobromide Openeye Name: (2S)-2-[[2-[[2-[2-[[4-[2-[[2-[[2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylamino]acetyl]amino]acetyl]amino]-4-methyl-pentanamide dihydrobromide CAS Name: (2S)-2-[[2-[[2-[2-[[4-[2-[[2-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethylamino]-1-oxoethyl]amino]-1-oxoethyl]amino]-4-methylpentanamide dihydrobromide IUPAC Name: (2S)-2-[[2-[[2-[2-[[4-[2-[[2-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetyl]amino]acetyl]amino]-4-methylpentanamide dihydrobromide Traditional Name: (2S)-2-[[2-[[2-[2-[[4-[2-[[2-[[2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]acetyl]amino]acetyl]amino]-4-methyl-valeramide dihydrobromide Formula: C38H56Br2N10O10 MolecularWeight: 972.72024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)CNC(=O)CNCCNC1=C2C(=C(C=C1)NCCNCC(=O)NCC(=O)NC(CC(C)C)C(=O)N)C(=O)C3=C(C=CC(=C3C2=O)O)O.Br.Br

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)CNC(=O)CNCCNC1=C2C(=C(C=C1)NCCNCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N)C(=O)C3=C(C=CC(=C3C2=O)O)O.Br.Br

InChI

InChI=1S/C38H54N10O10.2BrH/c1-19(2)13-23(37(39)57)47-29(53)17-45-27(51)15-41-9-11-43-21-5-6-22(32-31(21)35(55)33-25(49)7-8-26(50)34(33)36(32)56)44-12-10-42-16-28(52)46-18-30(54)48-24(38(40)58)14-20(3)4;;/h5-8,19-20,23-24,41-44,49-50H,9-18H2,1-4H3,(H2,39,57)(H2,40,58)(H,45,51)(H,46,52)(H,47,53)(H,48,54);2*1H/t23-,24-;;/m0../s1