| CAS Number | 849479-74-9 |
| Catalog Number | AG01EOK9(AGN-PC-0UVR3S) |
| Chemical Name | Vapreotide acetate |
| IUPAC Name | acetic acid;10-(4-aminobutyl)-N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[(2-amino-3-phenylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
| InChI | InChI=1S/C57H70N12O9S2.C2H4O2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58;1-2(3)4/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73);1H3,(H,3,4) |
| InChI Key | KBIZSMHYSQUHDH-UHFFFAOYSA-N |
| MDL Number | MFCD14155633 |
| Molecular Formula | C59H74N12O11S2 |
| Molecular Weight | 1191.4227 |
| SMILES | C([C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC2=CNC3=CC=CC=C23)CSSC[C@H](NC(=O)[C@H](N)CC2C=CC=CC=2)C(=O)N[C@@H](CC2C=CC(O)=CC=2)C(=O)N1)C1=CNC2=CC=CC=C12.CC(O)=O |
| Synonyms | D-Phe-Cys-Tyr-D-Trp-Lys-Val-Cys-Trp-NH2,
D-phenylalanyl-cysteinyl-tyrosyl-D-tryptophyl-lysyl-valyl-cysteinyl-tryptophanamide,
Octastatin,
RC 160,
RC-160,
vapreotide,
Vapreotide acetate,
Vapreotide acetate [USAN],
Sanvar,
Vapreotide acetate (USAN),
849479-74-9,
RC-160,
D09988,
Octastatin,
Docrised,
RC-160 acetate,
BMY-41606 acetate,
UNII-5562377HFV,
849479-74-9 (acetate),
BMY-41606,
DP-05-094,
D-Phenylalanyl-l-cysteinyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl-l-cysteinyl-l- tryptophanamide cyclic (2->7)-disulfide acetate salt (1:n),
L-Tryptophanamide, d-phenylalanyl-l-cysteinyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl-l- cysteinyl-, cyclic (2->7)-disulfide, acetate (1:?),
|