2-azanyl-N-[4-[[4-(2-azanylethanoylamino)phenyl]-[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpyrrolidin-2-yl]phosphoryl]phenyl]ethanamide chloride

Systemtic Name: 2-azanyl-N-[4-[[4-(2-azanylethanoylamino)phenyl]-[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpyrrolidin-2-yl]phosphoryl]phenyl]ethanamide chloride Openeye Name: 2-amino-N-[4-[[4-[(2-aminoacetyl)amino]phenyl]-[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]pyrrolidin-2-yl]phosphoryl]phenyl]acetamide chloride CAS Name: 2-amino-N-[4-[[4-[(2-amino-1-oxoethyl)amino]phenyl]-[1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-2-pyrrolidinyl]phosphoryl]phenyl]acetamide chloride IUPAC Name: 2-amino-N-[4-[[4-[(2-aminoacetyl)amino]phenyl]-[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]pyrrolidin-2-yl]phosphoryl]phenyl]acetamide chloride Traditional Name: 2-amino-N-[4-[[4-(glycylamino)phenyl]-[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]pyrrolidin-2-yl]phosphoryl]phenyl]acetamide chloride Formula: C25H34ClN6O4P MolecularWeight: 549.002021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)N2CCCC2P(=O)(C3=CC=C(C=C3)NC(=O)CN)C4=CC=C(C=C4)NC(=O)CN.[Cl-]

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N2CCCC2P(=O)(C3=CC=C(C=C3)NC(=O)CN)C4=CC=C(C=C4)NC(=O)CN.[Cl-]

InChI

InChI=1S/C25H33N6O4P.ClH/c26-15-22(32)29-17-5-9-19(10-6-17)36(35,20-11-7-18(8-12-20)30-23(33)16-27)24-4-2-14-31(24)25(34)21-3-1-13-28-21;/h5-12,21,24,28H,1-4,13-16,26-27H2,(H,29,32)(H,30,33);1H/t21-,24?;/m0./s1