3EM
N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide
Find entries where: 3EM
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide |
| Identifiers | 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]methoxycarbonylamino]-3-methyl-butanoyl]amino]-3-oxidanyl-1,6-diphenyl-hexan-2-yl]carbamate |
| Formula | C43 H51 N5 O8 S |
| Molecular Weight | 797.959 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O |
| InChI | InChI=1S/C43H51N5O8S/c1-5-48(6-2)33-17-18-35-31(21-39(50)56-38(35)23-33)25-54-43(53)47-40(28(3)4)41(51)45-32(19-29-13-9-7-10-14-29)22-37(49)36(20-30-15-11-8-12-16-30)46-42(52)55-26-34-24-44-27-57-34/h7-18,21,23-24,27-28,32,36-37,40,49H,5-6,19-20,22,25-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)/t32-,36-,37-,40-/m0/s1 |
| InChIKey | HWKZGVMRBIGKNW-FUVWEXRVSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 108 |
| Chiral Atom Count | 4 |
| Bond Count | 112 |
| Aromatic Bond Count | 23 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 91664012 |
