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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[4-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-4-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanamide dihydrobromide Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[4-[2-[[(1S)-1-[[(1S)-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylamino]-4-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanamide dihydrobromide CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[4-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethylamino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-4-methylpentanamide dihydrobromide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[4-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanamide dihydrobromide Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[4-[2-[[(1S)-1-[[(1S)-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]-4-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-valeramide dihydrobromide Formula: C48H76Br2N10O10 MolecularWeight: 1112.98604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(C)NC(=O)C(CC(C)C)NCCNC1=C2C(=C(C=C1)NCCNC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N)C(=O)C3=C(C=CC(=C3C2=O)O)O.Br.Br

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NCCNC1=C2C(=C(C=C1)NCCN[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=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/C48H74N10O10.2BrH/c1-23(2)19-31(43(49)63)57-45(65)27(9)55-47(67)33(21-25(5)6)53-17-15-51-29-11-12-30(38-37(29)41(61)39-35(59)13-14-36(60)40(39)42(38)62)52-16-18-54-34(22-26(7)8)48(68)56-28(10)46(66)58-32(44(50)64)20-24(3)4;;/h11-14,23-28,31-34,51-54,59-60H,15-22H2,1-10H3,(H2,49,63)(H2,50,64)(H,55,67)(H,56,68)(H,57,65)(H,58,66);2*1H/t27-,28-,31-,32-,33-,34-;;/m0../s1