disodium; 2-azanyl-3-[2-(2-azanyl-3-phenyl-propanoyl)phenyl]propanoate; aziridine-2-carboxylic acid; methanal

Systemtic Name: disodium; 2-azanyl-3-[2-(2-azanyl-3-phenyl-propanoyl)phenyl]propanoate; aziridine-2-carboxylic acid; methanal Openeye Name: disodium; 2-amino-3-[2-(2-amino-3-phenyl-propanoyl)phenyl]propanoate; aziridine-2-carboxylic acid; formaldehyde CAS Name: disodium; 2-amino-3-[2-(2-amino-1-oxo-3-phenylpropyl)phenyl]propanoate; 2-aziridinecarboxylic acid; formaldehyde IUPAC Name: disodium; 2-amino-3-[2-(2-amino-3-phenylpropanoyl)phenyl]propanoate; aziridine-2-carboxylic acid; formaldehyde Traditional Name: disodium; 2-amino-3-(2-phenylalanylphenyl)propionate; ethylenimine-2-carboxylic acid; formaldehyde Formula: C41H47N5Na2O10 MolecularWeight: 815.81892

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C=O.C1C(N1)C(=O)O.C1=CC=C(C=C1)CC(C(=O)C2=CC=CC=C2CC(C(=O)[O-])N)N.C1=CC=C(C=C1)CC(C(=O)C2=CC=CC=C2CC(C(=O)[O-])N)N.[Na+].[Na+]

Isomeric SMILES

C=O.C=O.C1C(N1)C(=O)O.C1=CC=C(C=C1)CC(C(=O)C2=CC=CC=C2CC(C(=O)[O-])N)N.C1=CC=C(C=C1)CC(C(=O)C2=CC=CC=C2CC(C(=O)[O-])N)N.[Na+].[Na+]

InChI

InChI=1S/2C18H20N2O3.C3H5NO2.2CH2O.2Na/c2*19-15(10-12-6-2-1-3-7-12)17(21)14-9-5-4-8-13(14)11-16(20)18(22)23;5-3(6)2-1-4-2;2*1-2;;/h2*1-9,15-16H,10-11,19-20H2,(H,22,23);2,4H,1H2,(H,5,6);2*1H2;;/q;;;;;2*+1/p-2