Molecule ID: 71464606

IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Description: The molecule is a tetrapeptide composed of L-arginine, L-asparagine, L-glutamine, and L-arginine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-arginine, a L-asparagine and a L-glutamine.

SMILES: N=C(O)CC[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O

SELFIES: [N][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring1][P][N][=C][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=N][O][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][O][=N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C21H40N12O7/c22-10(3-1-7-29-20(25)26)16(36)33-13(9-15(24)35)18(38)31-11(5-6-14(23)34)17(37)32-12(19(39)40)4-2-8-30-21(27)28/h10-13H,1-9,22H2,(H2,23,34)(H2,24,35)(H,31,38)(H,32,37)(H,33,36)(H,39,40)(H4,25,26,29)(H4,27,28,30)/t10-,11-,12-,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 366.0 Ų
- LogP: -8.8