Molecule ID: 71464682

IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-5-amino-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

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

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

SELFIES: [N][=C][Branch1][C][O][C][C][C@H1][Branch2][Ring2][=C][N][=C][Branch1][C][O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=N][O][N][=C][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C19H30N6O11/c20-8(1-6-14(28)29)16(32)25-11(7-15(30)31)18(34)23-9(2-4-12(21)26)17(33)24-10(19(35)36)3-5-13(22)27/h8-11H,1-7,20H2,(H2,21,26)(H2,22,27)(H,23,34)(H,24,33)(H,25,32)(H,28,29)(H,30,31)(H,35,36)/t8-,9-,10-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 311.0 Ų
- LogP: -7.5