Molecule ID: 25108624

IUPAC Name: 4-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Description: The molecule is coumarin carrying a methyl group at C-4 and a succinyl-leucyl-tryrosyl side-chain at C-7. It has a role as a peptidomimetic.

SMILES: Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@H](CC(C)C)N=C(O)CCC(=O)O)ccc12

SELFIES: [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring2][#C][N][=C][Branch1][C][O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=C][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring2][Ring2][#Branch1][Ring2][Ring2][C]

InChI: InChI=1S/C29H33N3O8/c1-16(2)12-22(31-25(34)10-11-26(35)36)29(39)32-23(14-18-4-7-20(33)8-5-18)28(38)30-19-6-9-21-17(3)13-27(37)40-24(21)15-19/h4-9,13,15-16,22-23,33H,10-12,14H2,1-3H3,(H,30,38)(H,31,34)(H,32,39)(H,35,36)/t22-,23-/m0/s1

Molecular Properties:
- Polar Surface Area: 171.0 Ų
- LogP: 2.5