Molecule ID: 3247071

IUPAC Name: (2S)-2-[[(2R)-2-amino-5-[formyl(hydroxy)amino]pentanoyl]amino]-5-[[(2R,3R)-2-[[(2R)-2-amino-5-[formyl(hydroxy)amino]pentanoyl]amino]-3-hydroxybutanoyl]-hydroxyamino]pentanoic acid

Description: The molecule is a tetrapeptide hydroxamate siderophore that is isolated from Streptomyces coelicolor. It has a role as a siderophore and a bacterial metabolite. It is a tetrapeptide, a hydroxamic acid and a member of formamides. It is a conjugate acid of a coelichelin(3-).

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

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

InChI: InChI=1S/C21H39N7O11/c1-13(31)17(25-19(33)15(23)6-3-9-27(38)12-30)20(34)28(39)10-4-7-16(21(35)36)24-18(32)14(22)5-2-8-26(37)11-29/h11-17,31,37-39H,2-10,22-23H2,1H3,(H,24,32)(H,25,33)(H,35,36)/t13-,14-,15-,16+,17-/m1/s1

Molecular Properties:
- Polar Surface Area: 289.0 Ų
- LogP: -6.5