4-[2-[2,6-bis(azanyl)hexanoylamino]ethanoylamino]-N-[5-[5-[[4-[[4-[2-[2,6-bis(azanyl)hexanoylamino]ethanoylamino]-1-propyl-pyrrol-2-yl]carbonylamino]-1-propyl-pyrrol-2-yl]carbonylamino]pentylcarbamoyl]-1-propyl-pyrrol-3-yl]-1-propyl-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[2,6-bis(azanyl)hexanoylamino]ethanoylamino]-N-[5-[5-[[4-[[4-[2-[2,6-bis(azanyl)hexanoylamino]ethanoylamino]-1-propyl-pyrrol-2-yl]carbonylamino]-1-propyl-pyrrol-2-yl]carbonylamino]pentylcarbamoyl]-1-propyl-pyrrol-3-yl]-1-propyl-pyrrole-2-carboxamide Openeye Name: 4-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-N-[5-[5-[[4-[[4-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-1-propyl-pyrrole-2-carbonyl]amino]-1-propyl-pyrrole-2-carbonyl]amino]pentylcarbamoyl]-1-propyl-pyrrol-3-yl]-1-propyl-pyrrole-2-carboxamide CAS Name: 4-[[2-[(2,6-diamino-1-oxohexyl)amino]-1-oxoethyl]amino]-N-[5-[[5-[[[4-[[[4-[[2-[(2,6-diamino-1-oxohexyl)amino]-1-oxoethyl]amino]-1-propyl-2-pyrrolyl]-oxomethyl]amino]-1-propyl-2-pyrrolyl]-oxomethyl]amino]pentylamino]-oxomethyl]-1-propyl-3-pyrrolyl]-1-propyl-2-pyrrolecarboxamide IUPAC Name: 4-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-N-[5-[5-[[4-[[4-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-1-propylpyrrole-2-carbonyl]amino]-1-propylpyrrole-2-carbonyl]amino]pentylcarbamoyl]-1-propylpyrrol-3-yl]-1-propylpyrrole-2-carboxamide Traditional Name: 4-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-N-[5-[5-[[4-[[4-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-1-propyl-pyrrole-2-carbonyl]amino]-1-propyl-pyrrole-2-carbonyl]amino]pentylcarbamoyl]-1-propyl-pyrrol-3-yl]-1-propyl-pyrrole-2-carboxamide Formula: C53H84N16O8 MolecularWeight: 1073.33646

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCCCNC(=O)C3=CC(=CN3CCC)NC(=O)C4=CC(=CN4CCC)NC(=O)CNC(=O)C(CCCCN)N)CCC)NC(=O)CNC(=O)C(CCCCN)N

Isomeric SMILES

CCCN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCCCNC(=O)C3=CC(=CN3CCC)NC(=O)C4=CC(=CN4CCC)NC(=O)CNC(=O)C(CCCCN)N)CCC)NC(=O)CNC(=O)C(CCCCN)N

InChI

InChI=1S/C53H84N16O8/c1-5-22-66-34-38(64-52(76)44-26-36(32-68(44)24-7-3)62-46(70)30-60-48(72)40(56)16-10-12-18-54)28-42(66)50(74)58-20-14-9-15-21-59-51(75)43-29-39(35-67(43)23-6-2)65-53(77)45-27-37(33-69(45)25-8-4)63-47(71)31-61-49(73)41(57)17-11-13-19-55/h26-29,32-35,40-41H,5-25,30-31,54-57H2,1-4H3,(H,58,74)(H,59,75)(H,60,72)(H,61,73)(H,62,70)(H,63,71)(H,64,76)(H,65,77)