(6-oxidanylidene-3H-purin-9-yl) 2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]-pentoxycarbonyl-amino]-4-methylsulfanyl-butanoate

Systemtic Name: (6-oxidanylidene-3H-purin-9-yl) 2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]-pentoxycarbonyl-amino]-4-methylsulfanyl-butanoate Openeye Name: (6-oxo-3H-purin-9-yl) 2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]-pentoxycarbonyl-amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]-[oxo(pentoxy)methyl]amino]-4-(methylthio)butanoic acid (6-oxo-3H-purin-9-yl) ester IUPAC Name: (6-oxo-3H-purin-9-yl) 2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]-pentoxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[amoxycarbonyl-[2-(glycylamino)-4-methyl-pentanoyl]amino]-4-(methylthio)butyric acid (6-keto-3H-purin-9-yl) ester Formula: C24H37N7O7S MolecularWeight: 567.65828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)N(C(CCSC)C(=O)ON1C=NC2=C1NC=NC2=O)C(=O)C(CC(C)C)NC(=O)CN

Isomeric SMILES

CCCCCOC(=O)N(C(CCSC)C(=O)ON1C=NC2=C1NC=NC2=O)C(=O)C(CC(C)C)NC(=O)CN

InChI

InChI=1S/C24H37N7O7S/c1-5-6-7-9-37-24(36)31(22(34)16(11-15(2)3)29-18(32)12-25)17(8-10-39-4)23(35)38-30-14-28-19-20(30)26-13-27-21(19)33/h13-17H,5-12,25H2,1-4H3,(H,29,32)(H,26,27,33)