(2S)-5-[bis(azanyl)methylideneamino]-2-(5-purin-9-ylpentoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-(5-purin-9-ylpentoxycarbonylamino)pentanoic acid Openeye Name: (2S)-5-guanidino-2-(5-purin-9-ylpentoxycarbonylamino)pentanoic acid CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[oxo-[5-(9-purinyl)pentoxy]methyl]amino]pentanoic acid IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-(5-purin-9-ylpentoxycarbonylamino)pentanoic acid Traditional Name: (2S)-5-guanidino-2-(5-purin-9-ylpentoxycarbonylamino)valeric acid Formula: C17H26N8O4 MolecularWeight: 406.43954

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)N(C=N2)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=C2C(=NC=N1)N(C=N2)CCCCCOC(=O)N[C@@H](CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C17H26N8O4/c18-16(19)21-6-4-5-12(15(26)27)24-17(28)29-8-3-1-2-7-25-11-23-13-9-20-10-22-14(13)25/h9-12H,1-8H2,(H,24,28)(H,26,27)(H4,18,19,21)/t12-/m0/s1