3-azanyl-4-[[1-[2-[[4-[2-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-[2-[[4-[2-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]propanoylamino]ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-[2-[[4-[2-[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]propanoylamino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylamino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[2-[[4-[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethylamino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[2-[[4-[2-[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]propanoylamino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[2-[2-[[4-[2-[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]propanoylamino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]-2-keto-1-methyl-ethyl]amino]-4-keto-butyric acid Formula: C32H40N8O12 MolecularWeight: 728.7064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40N8O12/c1-13(39-31(51)15(33)11-21(43)44)29(49)37-9-7-35-17-3-4-18(24-23(17)27(47)25-19(41)5-6-20(42)26(25)28(24)48)36-8-10-38-30(50)14(2)40-32(52)16(34)12-22(45)46/h3-6,13-16,35-36,41-42H,7-12,33-34H2,1-2H3,(H,37,49)(H,38,50)(H,39,51)(H,40,52)(H,43,44)(H,45,46)