3-[[2-azanyl-4-[2-[2-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethanoylamino]ethoxy]ethoxy]ethanoylamino]ethoxy]ethoxy]-3-oxidanylidene-butyl]-[2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-azanyl-4-[2-[2-[2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethanoylamino]ethoxy]ethoxy]ethanoylamino]ethoxy]ethoxy]-3-oxidanylidene-butyl]-[2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoyl]amino]propanoic acid Openeye Name: 3-[[2-amino-4-[2-[2-[[2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]-3-oxo-butyl]-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)acetyl]amino]propanoic acid CAS Name: 3-[[2-amino-4-[2-[2-[[2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]-1-oxoethyl]amino]ethoxy]ethoxy]-1-oxoethyl]amino]ethoxy]ethoxy]-3-oxobutyl]-[2-(5-methyl-2,4-dioxo-1-pyrimidinyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-amino-4-[2-[2-[[2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]-3-oxobutyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-amino-4-[2-[2-[[2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]-3-keto-butyl]-[2-(2,4-diketo-5-methyl-pyrimidin-1-yl)acetyl]amino]propionic acid Formula: C30H51N7O14 MolecularWeight: 733.76444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC(=O)N(CCC(=O)O)CC(C(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCN)N

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CC(=O)N(CCC(=O)O)CC(C(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCN)N

InChI

InChI=1S/C30H51N7O14/c1-22-16-37(30(45)35-29(22)44)18-27(41)36(6-2-28(42)43)17-23(32)24(38)19-49-13-11-47-8-4-33-26(40)21-51-15-12-48-9-5-34-25(39)20-50-14-10-46-7-3-31/h16,23H,2-15,17-21,31-32H2,1H3,(H,33,40)(H,34,39)(H,42,43)(H,35,44,45)