IUPAC Name
(4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-acetamido-3-phenylpropanamido)-10-(4-aminobutyl)-16-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
Synonyms
Ac-D-phenylalanyl-L-cystyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-cystyl-L-threoninol (Disulfide Bridge between Cys2-Cys7); N-Acetyl-Phe-Octreotide; L-Cysteinamide, N-acetyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-, cyclic (2→7)-disulfide; L-Cysteinamide, N-acetyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[2-hydroxy-1-(hydroxymethyl)propyl]-, cyclic (2→7)-disulfide, [R-(R*,R*)]-; N-Acetyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-L-cysteinamide cyclic (2→7)-disulfide; D-Phe(Ac)-Octreotide; Ac-D-Phe-Cys-Phe-D-Trp-Lys-Thr-Cys-Thr-ol (Disulfide bridge: Cys2-Cys7)
Related CAS
83795-62-4 (acetate salt) 104641-23-8 (Deleted CAS)
Appearance
Off-white Lyophilized Powder
Boiling Point
1502.2±65.0°C at 760 mmHg
Sequence
Ac-fCFwKTCT-ol (Disulfide bridge: Cys2-Cys7)
Storage
Store at -20°C, protect from light and moisture
Solubility
Soluble in Water
InChI
InChI=1S/C51H68N10O11S2/c1-29(63)41(26-62)58-50(71)43-28-74-73-27-42(59-46(67)38(54-31(3)65)22-32-14-6-4-7-15-32)49(70)56-39(23-33-16-8-5-9-17-33)47(68)57-40(24-34-25-53-36-19-11-10-18-35(34)36)48(69)55-37(20-12-13-21-52)45(66)61-44(30(2)64)51(72)60-43/h4-11,14-19,25,29-30,37-44,53,62-64H,12-13,20-24,26-28,52H2,1-3H3,(H,54,65)(H,55,69)(H,56,70)(H,57,68)(H,58,71)(H,59,67)(H,60,72)(H,61,66)/t29-,30-,37+,38-,39+,40-,41-,42+,43+,44+/m1/s1
InChI Key
MXXTWEOVDHOTKS-WSBRKJKKSA-N
Canonical SMILES
O=C(NC(C(=O)NC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CO)C(O)C)CSSC1)C(O)C)CCCCN)CC2=CNC=3C=CC=CC32)CC=4C=CC=CC4)CC=5C=CC=CC5)C
