(E)-2,2-bis(azanyl)-3-(2-azanylethanoylamino)-3-carbamimidoyl-5-oxidanylidene-docos-13-enoic acid

Systemtic Name: (E)-2,2-bis(azanyl)-3-(2-azanylethanoylamino)-3-carbamimidoyl-5-oxidanylidene-docos-13-enoic acid Openeye Name: (E)-2,2-diamino-3-[(2-aminoacetyl)amino]-3-carbamimidoyl-5-oxo-docos-13-enoic acid CAS Name: (E)-2,2-diamino-3-[(2-amino-1-oxoethyl)amino]-3-carbamimidoyl-5-oxo-13-docosenoic acid IUPAC Name: (E)-2,2-diamino-3-[(2-aminoacetyl)amino]-3-carbamimidoyl-5-oxodocos-13-enoic acid Traditional Name: (E)-3-amidino-2,2-diamino-3-(glycylamino)-5-keto-docos-13-enoic acid Formula: C25H48N6O4 MolecularWeight: 496.68642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)CC(C(=N)N)(C(C(=O)O)(N)N)NC(=O)CN

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)CC(C(=N)N)(C(C(=O)O)(N)N)NC(=O)CN

InChI

InChI=1S/C25H48N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(32)18-24(22(27)28,31-21(33)19-26)25(29,30)23(34)35/h9-10H,2-8,11-19,26,29-30H2,1H3,(H3,27,28)(H,31,33)(H,34,35)/b10-9+