name of vapreotide

vapreotide

formula | C_57H_70N_12O_9S_2 name | vapreotide IUPAC name | 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 mass fractions | C (carbon) 60.5% | H (hydrogen) 6.24% | N (nitrogen) 14.9% | O (oxygen) 12.7% | S (sulfur) 5.67%

Draw the Lewis structure of vapreotide. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), nitrogen (n_N, val = 5), oxygen (n_O, val = 6), and sulfur (n_S, val = 6) atoms: 57 n_C, val + 70 n_H, val + 12 n_N, val + 9 n_O, val + 2 n_S, val = 424 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), nitrogen (n_N, full = 8), oxygen (n_O, full = 8), and sulfur (n_S, full = 8): 57 n_C, full + 70 n_H, full + 12 n_N, full + 9 n_O, full + 2 n_S, full = 780 Subtracting these two numbers shows that 780 - 424 = 356 bonding electrons are needed. Each bond has two electrons, so in addition to the 156 bonds already present in the diagram add 22 bonds. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 22 bonds by pairing electrons between adjacent highlighted atoms. Note that the six atom rings are aromatic, so that the single and double bonds may be rearranged: Answer: | |

molar mass | 1131.4 g/mol phase | solid (at STP)

predicted LogP hydrophobicity | 2.69 predicted LogS | -5.45

approval status | approved | investigational | small molecule drug categories | analgesic | antineoplastic agent

brand names | sanvar | sanvar IR

CAS number | 103222-11-3 PubChem CID number | 71306 PubChem SID number | 17206305 SMILES identifier | CC(C)C1NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CSSCC(NC1=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(N)=O)NC(=O)C(N)CC1=CC=CC=C1 InChI identifier | InChI=1/C57H70N12O9S2/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/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)/f/h63-69H, 60H2 InChI key | SWXOGPJRIDTIRL-VXAOVTFPCP