veldoreotide   

GtoPdb Ligand ID: 8487

Synonyms: COR-005 | DG3173 | PTR-3173 | somatoprim
Comment: Veldoreotide (COR-005) is an investigational somatostatin analogue (SSA) [2] in early stage development for treatment of patients with acromegaly.
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES NCCCCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCNC(=O)CCCN(C(=O)C(NC(=O)C(NC1=O)C(O)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2
Isomeric SMILES NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCNC(=O)CCCN(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2
InChI InChI=1S/C60H74N12O10/c1-37(73)54-59(81)70-50(31-39-18-6-3-7-19-39)60(82)72(36-51(62)74)29-15-26-52(75)63-28-14-25-53(76)66-47(30-38-16-4-2-5-17-38)56(78)68-49(33-41-35-65-45-23-11-9-21-43(41)45)58(80)69-48(32-40-34-64-44-22-10-8-20-42(40)44)57(79)67-46(55(77)71-54)24-12-13-27-61/h2-11,16-23,34-35,37,46-50,54,64-65,73H,12-15,24-33,36,61H2,1H3,(H2,62,74)(H,63,75)(H,66,76)(H,67,79)(H,68,78)(H,69,80)(H,70,81)(H,71,77)/t37-,46+,47+,48-,49+,50+,54+/m1/s1
InChI Key ABFNTRQPWNXUHA-VEVJRHMJSA-N
Classification
Compound class Peptide or derivative
IUPAC Name
2-[(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]acetamide
Synonyms
COR-005 | DG3173 | PTR-3173 | somatoprim
Database Links
CAS Registry No. 252845-37-7 (source: Scifinder)
GtoPdb PubChem SID 252166695
PubChem CID 9919857
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