2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[2-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]ethanoyl]amino]ethanoic acid

Systemtic Name: 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[2-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]ethanoyl]amino]ethanoic acid Openeye Name: 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[2-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]acetyl]amino]acetic acid CAS Name: 2-[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]ethyl-[2-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[2-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]acetyl]amino]acetic acid Traditional Name: 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[2-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]acetyl]amino]acetic acid Formula: C30H31N7O7 MolecularWeight: 601.60984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC(=O)N(CCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CC(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC(=O)N(CCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CC(=O)O

InChI

InChI=1S/C30H31N7O7/c1-17(2)27(41)34-29-33-26-25(28(42)35-29)32-16-37(26)13-23(38)36(14-24(39)40)12-11-31-30(43)44-15-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-10,16-17,22H,11-15H2,1-2H3,(H,31,43)(H,39,40)(H2,33,34,35,41,42)