4-[[3-[2-[[3-aminocarbonyl-5-[[2-[3-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]phenyl]sulfonylethylamino]methyl]phenyl]methylamino]ethylsulfonyl]phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 4-[[3-[2-[[3-aminocarbonyl-5-[[2-[3-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]phenyl]sulfonylethylamino]methyl]phenyl]methylamino]ethylsulfonyl]phenyl]amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-[2-[[3-[[2-[3-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]phenyl]sulfonylethylamino]methyl]-5-carbamoyl-phenyl]methylamino]ethylsulfonyl]anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-[2-[[3-[[2-[3-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]sulfonylethylamino]methyl]-5-carbamoylphenyl]methylamino]ethylsulfonyl]anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-[2-[[3-[[2-[3-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]phenyl]sulfonylethylamino]methyl]-5-carbamoylphenyl]methylamino]ethylsulfonyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-[2-[[3-[[2-[3-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]phenyl]sulfonylethylamino]methyl]-5-carbamoyl-benzyl]amino]ethylsulfonyl]anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C53H45N7O15S4 MolecularWeight: 1148.2223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCNCC5=CC(=CC(=C5)C(=O)N)CNCCS(=O)(=O)C6=CC=CC(=C6)NC7=CC(=C(C8=C7C(=O)C9=CC=CC=C9C8=O)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCNCC5=CC(=CC(=C5)C(=O)N)CNCCS(=O)(=O)C6=CC=CC(=C6)NC7=CC(=C(C8=C7C(=O)C9=CC=CC=C9C8=O)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C53H45N7O15S4/c54-47-41(78(70,71)72)24-39(43-45(47)51(63)37-13-3-1-11-35(37)49(43)61)59-31-7-5-9-33(22-31)76(66,67)17-15-57-26-28-19-29(21-30(20-28)53(56)65)27-58-16-18-77(68,69)34-10-6-8-32(23-34)60-40-25-42(79(73,74)75)48(55)46-44(40)50(62)36-12-2-4-14-38(36)52(46)64/h1-14,19-25,57-60H,15-18,26-27,54-55H2,(H2,56,65)(H,70,71,72)(H,73,74,75)