| CAS Number | 183658-72-2 |
| Catalog Number | AG01ENGY(AGN-PC-0QCM1R) |
| Chemical Name | CYN 154806 |
| IUPAC Name | (4R,7S,10S,13R,16S,19S)-19-[[(2S)-2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
| InChI | InChI=1S/C56H68N12O14S2/c1-30(69)48-56(80)66-47(54(78)62-42(49(58)73)23-33-12-18-37(71)19-13-33)29-84-83-28-46(65-51(75)43(60-31(2)70)24-32-10-16-36(17-11-32)68(81)82)55(79)63-44(25-34-14-20-38(72)21-15-34)52(76)64-45(26-35-27-59-40-8-4-3-7-39(35)40)53(77)61-41(50(74)67-48)9-5-6-22-57/h3-4,7-8,10-21,27,30,41-48,59,69,71-72H,5-6,9,22-26,28-29,57H2,1-2H3,(H2,58,73)(H,60,70)(H,61,77)(H,62,78)(H,63,79)(H,64,76)(H,65,75)(H,66,80)(H,67,74)/t30-,41+,42-,43+,44+,45-,46-,47+,48+/m1/s1 |
| InChI Key | RDTVTSXTFYXNSG-HDNDNHAUSA-N |
| MDL Number | MFCD06411598 |
| Molecular Formula | C56H68N12O14S2 |
| Molecular Weight | 1197.3411 |
| SMILES | C([C@@H]1C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])([C@H](O)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N)CC2C=CC(O)=CC=2)CSSC[C@@H](NC([C@@H](NC(=O)C)CC2C=CC([N+]([O-])=O)=CC=2)=O)C(=O)N[C@@H](CC2C=CC(O)=CC=2)C(=O)N1)C1=CNC2C=CC=CC1=2 |
| Synonyms | acetyl-4-nitrophenylalanyl-cyclo(cysteinyl-tyrosyl-tryptophyl-lysyl-threonyl-cysteinyl)-tyrosinamide,
CYN 154806,
CYN-14806,
L-Tyr(8)-CYN-154806,
CYN 154806,
CYN-154806,
183658-72-2,
BDBM85671,
AKOS024456810,
CAS_183658-72-2,
CYANAMIDE,
CYN-14806,
L-Tyr(8)-CYN-154806,
A13714,
C403089,
acetyl-4-nitrophenylalanyl-cyclo(cysteinyl-tyrosyl-tryptophyl-lysyl-threonyl-cysteinyl)-tyrosinamide,
|