Veldoreotide
2-[(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octazacyclooctacos-1-yl]acetamide
Molecular Identity
Veldoreotide
2-[(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-[(1R)-1-hydroxyethyl]-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octazacyclooctacos-1-yl]acetamide
PubChem CID: 9919857
2D Structure
Properties
C60H74N12O10
Molecular Formula
1123.30
Molecular Weight
g/mol
1122.5651
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
345
TPSA
May have limited oral absorption
12
H-Bond Donors
11
H-Bond Acceptors
2140
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1C(=O)NC(C(=O)N(CCCC(=O)NCCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)CC(=O)N)CC7=CC=CC=C7)OIsomeric SMILES
SMILES: C[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CCCC(=O)NCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)CC(=O)N)CC7=CC=CC=C7)OSynonyms(20)
VeldoreotideSomatoprim252845-37-7COR-0051Z83587HBNPTR 3173PTR-3173DG3173DG-3173veldoreotidaveldoreotidum2-((3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-6-(1-hydroxyethyl)-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-3,18-bis(phenylmethyl)-1,4,7,10,13,16,19,24-octazacyclooctacos-1-yl)acetamide2-[(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-6-(1-hydroxyethyl)-12,15-bis(1H-indol-3-ylmethyl)-2,5,8,11,14,17,20,25-octaoxo-3,18-bis(phenylmethyl)-1,4,7,10,13,16,19,24-octazacyclooctacos-1-yl]acetamideRefChem:1938972-((3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,18-dibenzyl-6-((1R)-1-hydroxyethyl)-12,15-bis((1H-indol-3-yl)methyl)-2,5,8,11,14,17,20,25-octaoxo-1,4,7,10,13,16,19,24-octaazacyclooctacosan-1-yl)acetamide
Data from PubChem (NCBI)
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