D81
S-{(2S)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-N~2~-cyclopentyl-N-[(pyridin-3-yl)methyl]-L-cysteinamide
Find entries where: D81
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | S-{(2S)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-N~2~-cyclopentyl-N-[(pyridin-3-yl)methyl]-L-cysteinamide |
| Identifiers | (2~{R})-2-(cyclopentylamino)-3-[(2~{S})-2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]-3-phenyl-propyl]sulfanyl-~{N}-(pyridin-3-ylmethyl)propanamide |
| Formula | C29 H42 N4 O2 S |
| Molecular Weight | 510.734 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)(C)OC(=C)N[C@@H](Cc1ccccc1)CSC[C@@H](C(=O)NCc2cccnc2)NC3CCCC3 |
| InChI | InChI=1S/C29H42N4O2S/c1-22(35-29(2,3)4)32-26(17-23-11-6-5-7-12-23)20-36-21-27(33-25-14-8-9-15-25)28(34)31-19-24-13-10-16-30-18-24/h5-7,10-13,16,18,25-27,32-33H,1,8-9,14-15,17,19-21H2,2-4H3,(H,31,34)/t26-,27-/m0/s1 |
| InChIKey | XSOXMZJIQQXOTI-SVBPBHIXSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 78 |
| Chiral Atom Count | 2 |
| Bond Count | 80 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 131842078 |
