[4-[[4-[[4-[[5-[[4-[(4,6-diphosphononaphthalen-1-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-3-yl]carbonylamino]-7-phosphono-naphthalen-1-yl]phosphonic acid

Systemtic Name: [4-[[4-[[4-[[5-[[4-[(4,6-diphosphononaphthalen-1-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-3-yl]carbonylamino]-7-phosphono-naphthalen-1-yl]phosphonic acid Openeye Name: [4-[[4-[[4-[[5-[[4-[(4,6-diphosphono-1-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-3-carbonyl]amino]-7-phosphono-1-naphthyl]phosphonic acid CAS Name: [4-[[[4-[[[4-[[[[5-[[[4-[[(4,6-diphosphono-1-naphthalenyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-3-pyrrolyl]-oxomethyl]amino]-7-phosphono-1-naphthalenyl]phosphonic acid IUPAC Name: [4-[[4-[[4-[[5-[[4-[(4,6-diphosphononaphthalen-1-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-3-carbonyl]amino]-7-phosphononaphthalen-1-yl]phosphonic acid Traditional Name: [4-[[4-[[4-[[5-[[4-[(4,6-diphosphono-1-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-3-carbonyl]amino]-7-phosphono-1-naphthyl]phosphonic acid Formula: C45H44N10O17P4 MolecularWeight: 1120.782704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1)NC(=O)C2=CC(=CN2C)NC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C=C4C(=O)NC5=C6C=CC(=CC6=C(C=C5)P(=O)(O)O)P(=O)(O)O)C)C)C(=O)NC7=C8C=CC(=CC8=C(C=C7)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN1C=C(C(=C1)NC(=O)C2=CC(=CN2C)NC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C=C4C(=O)NC5=C6C=CC(=CC6=C(C=C5)P(=O)(O)O)P(=O)(O)O)C)C)C(=O)NC7=C8C=CC(=CC8=C(C=C7)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C45H44N10O17P4/c1-52-19-31(41(56)48-33-9-11-39(75(67,68)69)29-15-25(73(61,62)63)5-7-27(29)33)35(21-52)50-43(58)37-13-23(17-54(37)3)46-45(60)47-24-14-38(55(4)18-24)44(59)51-36-22-53(2)20-32(36)42(57)49-34-10-12-40(76(70,71)72)30-16-26(74(64,65)66)6-8-28(30)34/h5-22H,1-4H3,(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H2,46,47,60)(H2,61,62,63)(H2,64,65,66)(H2,67,68,69)(H2,70,71,72)