2-azanyl-5-[bis(azanyl)methylideneamino]-N-[3-[4-[3-[[3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(butanoylamino)propanoyl]amino]propylamino]butylamino]propyl]pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-[3-[4-[3-[[3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(butanoylamino)propanoyl]amino]propylamino]butylamino]propyl]pentanamide Openeye Name: 2-amino-N-[3-[4-[3-[[2-(butanoylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-guanidino-pentanamide CAS Name: 2-amino-5-(diaminomethylideneamino)-N-[3-[4-[3-[[3-(4-hydroxy-3,5-diiodophenyl)-1-oxo-2-(1-oxobutylamino)propyl]amino]propylamino]butylamino]propyl]pentanamide IUPAC Name: 2-amino-N-[3-[4-[3-[[2-(butanoylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide Traditional Name: 2-amino-N-[3-[4-[3-[[2-butyramido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]propylamino]butylamino]propyl]-5-guanidino-valeramide Formula: C29H51I2N9O4 MolecularWeight: 843.58208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CCCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C29H51I2N9O4/c1-2-8-25(41)40-24(19-20-17-21(30)26(42)22(31)18-20)28(44)38-16-7-13-36-11-4-3-10-35-12-6-15-37-27(43)23(32)9-5-14-39-29(33)34/h17-18,23-24,35-36,42H,2-16,19,32H2,1H3,(H,37,43)(H,38,44)(H,40,41)(H4,33,34,39)