2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-2-[7-(2-azanylpurin-9-yl)-3,3a,4-tris(oxidanyl)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]ethanoic acid

Systemtic Name: 2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-2-[7-(2-azanylpurin-9-yl)-3,3a,4-tris(oxidanyl)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]ethanoic acid Openeye Name: 2-[(2-amino-5-guanidino-pentanoyl)amino]-2-[7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]acetic acid CAS Name: 2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-2-[7-(2-amino-9-purinyl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]acetic acid IUPAC Name: 2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-[7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]acetic acid Traditional Name: 2-[(2-amino-5-guanidino-pentanoyl)amino]-2-[7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]acetic acid Formula: C20H30N10O8 MolecularWeight: 538.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2(C(C(OC(C2O1)N3C=NC4=CN=C(N=C43)N)C(C(=O)O)NC(=O)C(CCCN=C(N)N)N)O)O)O

Isomeric SMILES

C1C(C2(C(C(OC(C2O1)N3C=NC4=CN=C(N=C43)N)C(C(=O)O)NC(=O)C(CCCN=C(N)N)N)O)O)O

InChI

InChI=1S/C20H30N10O8/c21-7(2-1-3-25-18(22)23)15(33)28-10(17(34)35)11-12(32)20(36)9(31)5-37-13(20)16(38-11)30-6-27-8-4-26-19(24)29-14(8)30/h4,6-7,9-13,16,31-32,36H,1-3,5,21H2,(H,28,33)(H,34,35)(H4,22,23,25)(H2,24,26,29)