Molecule ID: 56927785

IUPAC Name: acetic acid;(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]pentanedioic acid

Description: The molecule is the acetate salt of L-arginyl-L-glutamic acid. It is an organic molecular entity and an acetate salt. It contains a L-arginyl-L-glutamic acid.

SMILES: CC(=O)O.N=C(N)NCCC[C@H](N)C(O)=N[C@@H](CCC(=O)O)C(=O)O

SELFIES: [C][C][=Branch1][C][=O][O].[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch1][C][N][C][Branch1][C][O][=N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H21N5O5.C2H4O2/c12-6(2-1-5-15-11(13)14)9(19)16-7(10(20)21)3-4-8(17)18;1-2(3)4/h6-7H,1-5,12H2,(H,16,19)(H,17,18)(H,20,21)(H4,13,14,15);1H3,(H,3,4)/t6-,7-;/m0./s1

Molecular Properties:
- Polar Surface Area: 231.0 Ų
- LogP: nan