H-DL-Phe-DL-Cys(1)-DL-Phe-DL-Trp-DL-Lys-DL-xiThr-DL-Cys(1)-Thr-ol.2CH3CO2H structure

H-DL-Phe-DL-Cys(1)-DL-Phe-DL-Trp-DL-Lys-DL-xiThr-DL-Cys(1)-Thr-ol.2CH3CO2H

acetic acid;10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

Also Known As: Octreotide acetate|Sandostatin|Octreotide|Sandostatin LAR|Sandostatin LAR Depot|AC1L1GVR|AC1Q2BPN|Octreotide acetate [USAN:JAN]|AC-663|SMS 201-995|acetic acid; 10-(4-aminobutyl)-19-[(2-amino-3-phenyl-propanoyl)amino]-16-benzyl-7-(1-hydroxyethyl)-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide|acetic acid; 10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide|acetic acid; 10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide|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 acetate (salt)|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 acetate (salt)|D-Phenylalanyl-L-hemicystyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-hemicystyl-L-threoninol cyclic (2->7)-disulfide acetate (salt)|D-Phenylalanyl-L-hemicystyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-hemicystyl-L-threoninol cyclic (2-7)-disulfide acetate (salt)|L-Cysteinamide, 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*))-, acetate (salt)|L-Cysteinamide, 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*))-, acetate (salt)

CAS: 83150-76-9
Molecular Formula C53H74N10O14S2
Molecular Weight 1138.4828 g/mol
LogP -0.62
Topological Polar Surface Area 406.82 Ų
Hydrogen Bond Donors 15
Hydrogen Bond Acceptors 16
Rotatable Bonds 17
Exact Mass 1138.4828
Heavy Atoms 79
Complexity 2592.6

Chemical Identifiers

CAS Number 83150-76-9
SMILES C[C@H]([C@@H](CO)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)O.CC(=O)O.CC(=O)O

Product Overview

H-DL-Phe-DL-Cys(1)-DL-Phe-DL-Trp-DL-Lys-DL-xiThr-DL-Cys(1)-Thr-ol.2CH3CO2H (CAS 83150-76-9), with molecular formula C53H74N10O14S2 and molecular weight 1138.4828 g/mol. IUPAC: acetic acid;10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide.

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