(2R,5R,8R,11R,14R,20R,23R,24R)-14-((1H-imidazol-5-yl)methyl)-23-amino-2-(4-aminobutyl)-8-(carboxymethyl)-5-(4-hydroxybenzyl)-20-isobutyl-24-methyl-4,7,10,13,16,19,22-heptaoxo-11-(3-ureidopropyl)-3,6,9,12,15,18,21-heptaazahexacosan-1-oic acid

ID: ALA1910324

Chembl Id: CHEMBL1910324

PubChem CID: 57392015

Max Phase: Preclinical

Molecular Formula: C45H71N13O13

Molecular Weight: 1002.14

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC[C@@H](C)[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN)C(=O)O

Standard InChI:  InChI=1S/C45H71N13O13/c1-5-25(4)37(47)43(68)58-31(17-24(2)3)38(63)51-22-35(60)53-33(19-27-21-49-23-52-27)41(66)54-29(10-8-16-50-45(48)71)39(64)57-34(20-36(61)62)42(67)56-32(18-26-11-13-28(59)14-12-26)40(65)55-30(44(69)70)9-6-7-15-46/h11-14,21,23-25,29-34,37,59H,5-10,15-20,22,46-47H2,1-4H3,(H,49,52)(H,51,63)(H,53,60)(H,54,66)(H,55,65)(H,56,67)(H,57,64)(H,58,68)(H,61,62)(H,69,70)(H3,48,50,71)/t25-,29-,30-,31-,32-,33-,34-,37-/m1/s1

Standard InChI Key:  IVQBXMPXSLAIFC-OSMHAOILSA-N

Alternative Forms

1. Parent:

   

   ALA1910324

   H-D-Ile-D-Leu-Gly-D-His-D-Cit-D-Asp-D-Tyr-D-Lys-OH

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: 1002.14

Molecular Weight (Monoisotopic): 1001.5294

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References

1. Bourguet CB, Goupil E, Tassy D, Hou X, Thouin E, Polyak F, Hébert TE, Claing A, Laporte SA, Chemtob S, Lubell WD..  (2011)  Targeting the prostaglandin F2α receptor for preventing preterm labor with azapeptide tocolytics.,  54  (17): [PMID:21774512] [10.1021/jm200608k]

Source

Source(1):

• Scientific Literature