tert-butyl 2-[bis[3-[2-[bis(3-azanylpropyl)amino]ethanoylamino]propyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[bis[3-[2-[bis(3-azanylpropyl)amino]ethanoylamino]propyl]amino]ethanoate Openeye Name: tert-butyl 2-[bis[3-[[2-[bis(3-aminopropyl)amino]acetyl]amino]propyl]amino]acetate CAS Name: 2-[bis[3-[[2-[bis(3-aminopropyl)amino]-1-oxoethyl]amino]propyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[bis[3-[[2-[bis(3-aminopropyl)amino]acetyl]amino]propyl]amino]acetate Traditional Name: 2-[bis[3-[[2-[bis(3-aminopropyl)amino]acetyl]amino]propyl]amino]acetic acid tert-butyl ester Formula: C28H61N9O4 MolecularWeight: 587.84184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(CCCNC(=O)CN(CCCN)CCCN)CCCNC(=O)CN(CCCN)CCCN

Isomeric SMILES

CC(C)(C)OC(=O)CN(CCCNC(=O)CN(CCCN)CCCN)CCCNC(=O)CN(CCCN)CCCN

InChI

InChI=1S/C28H61N9O4/c1-28(2,3)41-27(40)24-37(20-8-14-33-25(38)22-35(16-4-10-29)17-5-11-30)21-9-15-34-26(39)23-36(18-6-12-31)19-7-13-32/h4-24,29-32H2,1-3H3,(H,33,38)(H,34,39)