| CAS Number | 514814-49-4 |
| Catalog Number | AG01B4VT(AGN-PC-0SAKRB) |
| Chemical Name | Hydrocinnamate |
| IUPAC Name | N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide |
| InChI | InChI=1S/C45H62N10O6/c46-45(47)49-24-9-18-34-40(57)48-23-10-19-35(51-39(56)22-21-29-12-3-1-4-13-29)44(61)55-25-11-20-38(55)43(60)54-36(26-30-14-5-2-6-15-30)41(58)53-37(42(59)52-34)27-31-28-50-33-17-8-7-16-32(31)33/h1,3-4,7-8,12-13,16-17,28,30,34-38,50H,2,5-6,9-11,14-15,18-27H2,(H,48,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,46,47,49)/t34-,35-,36+,37-,38-/m0/s1 |
| InChI Key | VATFHFJULBPYLM-ILOBPARPSA-N |
| MDL Number | MFCD31657373 |
| Molecular Formula | C45H62N10O6 |
| Molecular Weight | 839.0372 |
| SMILES | C(C=1C=2C(NC1)=CC=CC2)[C@@H]3NC(=O)[C@@H](CC4CCCCC4)NC(=O)[C@]5(N(C(=O)[C@@H](NC(CCC6=CC=CC=C6)=O)CCCNC(=O)[C@H](CCCNC(=N)N)NC3=O)CCC5)[H] |
| UNII | DC25O3L7KZ |
| Synonyms | (HC)-(OP(D-Cha)WR),
HC-(OPChaWR),
hydrocinnamate-cyclo(ornithine-proline-cyclohexylalanine-tryptophyan-arginine),
hydrocinnamate-cyclo(ornithyl-prolyl-cyclohexylalanyl-tryptophyl-arginyl),
PMX 205,
PMX-205,
PMX205,
PMX 205,
UNII-DC25O3L7KZ,
DC25O3L7KZ,
PMX-205,
514814-49-4,
HC-[OP(D-Cha)WR],
AC1OCFYH,
PMX205,
SCHEMBL12971708,
LP-16,
ZINC95627847,
Hydrocinnamate-(orn-Pro-dcha-Trp-Arg),
Cyclic hexapeptide complement C5a antagonist,
HY-110136,
CS-0032991,
A16946,
N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide,
CID6918845,
|