2-azanyl-5-[bis(azanyl)methylideneamino]-2-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethanoyl]pentanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-2-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethanoyl]pentanoic acid Openeye Name: 2-amino-2-[2-(2,5-dioxopyrrol-1-yl)acetyl]-5-guanidino-pentanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)-2-[2-(2,5-dioxo-1-pyrrolyl)-1-oxoethyl]pentanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)-2-[2-(2,5-dioxopyrrol-1-yl)acetyl]pentanoic acid Traditional Name: 2-amino-5-guanidino-2-(2-maleimidoacetyl)valeric acid Formula: C12H17N5O5 MolecularWeight: 311.29388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)N(C1=O)CC(=O)C(CCCN=C(N)N)(C(=O)O)N

Isomeric SMILES

C1=CC(=O)N(C1=O)CC(=O)C(CCCN=C(N)N)(C(=O)O)N

InChI

InChI=1S/C12H17N5O5/c13-11(14)16-5-1-4-12(15,10(21)22)7(18)6-17-8(19)2-3-9(17)20/h2-3H,1,4-6,15H2,(H,21,22)(H4,13,14,16)