AC1LAZJ1

2-amino-N-[3-[4-[3-[[2-(butanoylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide

Also Known As: n|A-butanoyl-n-[3-({4-[(3-{[n5-(diaminomethylidene)-l-ornithyl]amino}propyl)amino]butyl}amino)propyl]-3,5-bis[(125i)iodo]-l-tyrosinamide|2-Amino-5-((amino(imino)methyl)amino)-N-(15-(4-hydroxy-3,5-diiodobenzyl)-14,17-dioxo-4,9,13,16-tetraazaicos-1-yl)pentanamide trifluoroacetate|2-amino-N-(3-{[4-({3-[2-butanamido-3-(4-hydroxy-3,5-diiodophenyl)propanamido]propyl}amino)butyl]amino}propyl)-5-carbamimidamidopentanamide|2-amino-N-[3-[4-[3-[[2-(butanoylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-guanidino-pentanamide|2-amino-N-[3-[4-[3-[[2-(butanoylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide|N-[1-[[[3-[[4-[[3-[(2-Amino-5-guanidinopentanoyl)amino]propyl]amino]butyl]amino]propyl]amino]carbonyl]-2-(4-hydroxy-3,5-diiodophenyl)ethyl]butanamide

Molecular Formula	C29H51I2N9O4
Molecular Weight	843.21533 g/mol
LogP	0.8
Topological Polar Surface Area	222.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	8
Rotatable Bonds	24
Exact Mass	843.21533
Monoisotopic Mass	843.21533
Heavy Atoms	44
Complexity	840.0

Chemical Identifiers

CAS Number	6288-22-8
SMILES	CCCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCN=C(N)N)N
InChIKey	OAAQEYQIFYXRKL-UHFFFAOYSA-N