(S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6-((1H-indol-3-yl)methyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-15-methyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosane)-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide

ID: ALA3272562

Chembl Id: CHEMBL3272562

Cas Number: 51230-19-4

PubChem CID: 3081500

Max Phase: Preclinical

Molecular Formula: C56H77N17O13

Molecular Weight: 1196.34

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

Standard InChI:  InChI=1S/C56H77N17O13/c1-29(2)20-39(50(81)67-38(10-6-18-61-56(58)59)55(86)73-19-7-11-44(73)54(85)63-26-45(57)76)68-47(78)30(3)65-49(80)40(21-31-12-14-34(75)15-13-31)69-53(84)43(27-74)72-51(82)41(22-32-24-62-36-9-5-4-8-35(32)36)70-52(83)42(23-33-25-60-28-64-33)71-48(79)37-16-17-46(77)66-37/h4-5,8-9,12-15,24-25,28-30,37-44,62,74-75H,6-7,10-11,16-23,26-27H2,1-3H3,(H2,57,76)(H,60,64)(H,63,85)(H,65,80)(H,66,77)(H,67,81)(H,68,78)(H,69,84)(H,70,83)(H,71,79)(H,72,82)(H4,58,59,61)/t30-,37+,38+,39+,40+,41+,42+,43+,44+/m1/s1

Standard InChI Key:  SESQMDHICVIJCF-PCMWHEESSA-N

Alternative Forms

1. Parent:

   

   ALA3272562

   6-D-Ala-gonadorelin

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1196.34

Molecular Weight (Monoisotopic): 1195.5887

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References

1. Wan YP, Humphries J, Fisher G, Folkers K, Bowers CY..  (1976)  Inhibitors of the luteinizing hormone-releasing hormone based upon modifications in the 2, 3, and 6 positions.,  19  (2): [PMID:765459] [10.1021/jm00224a001]

2. Coy DH, Vilchez-Martinez JA, Coy EJ, Schally AV..  (1976)  Analogs of luteinizing hormone-releasing hormone with increased biological activity produced by D-amino acid substitutions in position 6.,  19  (3): [PMID:1255667] [10.1021/jm00225a018]

Source

Source(1):

• Scientific Literature