2-[2-(2-azanylpropanoylamino)propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[2-(2-azanylpropanoylamino)propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[2-(2-aminopropanoylamino)propanoylamino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[2-(2-aminopropanoylamino)propanoylamino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[2-(alanylamino)propanoylamino]-5-guanidino-valeric acid Formula: C12H24N6O4 MolecularWeight: 316.35676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N6O4/c1-6(13)9(19)17-7(2)10(20)18-8(11(21)22)4-3-5-16-12(14)15/h6-8H,3-5,13H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H4,14,15,16)