2-(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-sec-butyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamido)-4-methylpentanamido)acetoxy)acetic acid

ID: ALA2207143

Chembl Id: CHEMBL2207143

PubChem CID: 71463172

Max Phase: Preclinical

Molecular Formula: C45H67N11O15S2

Molecular Weight: 1066.23

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)OCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

Standard InChI:  InChI=1S/C45H67N11O15S2/c1-5-23(4)37-44(69)50-27(12-13-33(47)58)40(65)52-30(17-34(48)59)41(66)54-31(21-73-72-20-26(46)38(63)51-29(42(67)55-37)16-24-8-10-25(57)11-9-24)45(70)56-14-6-7-32(56)43(68)53-28(15-22(2)3)39(64)49-18-36(62)71-19-35(60)61/h8-11,22-23,26-32,37,57H,5-7,12-21,46H2,1-4H3,(H2,47,58)(H2,48,59)(H,49,64)(H,50,69)(H,51,63)(H,52,65)(H,53,68)(H,54,66)(H,55,67)(H,60,61)/t23-,26-,27-,28-,29-,30-,31-,32-,37-/m0/s1

Standard InChI Key:  WJUBUQDSQKKTFJ-GIISNQDKSA-N

Alternative Forms

1. Parent:

   

   ALA2207143

   H-Cys(1)-Tyr-Ile-Gln-Asn-Cys(1)-Pro-Leu-Gly-OGly-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: 1066.23

Molecular Weight (Monoisotopic): 1065.4260

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References

1. Morris KM, Cao F, Onagi H, Altamore TM, Gamble AB, Easton CJ..  (2012)  Prohormone-substrate peptide sequence recognition by peptidylglycine α-amidating monooxygenase and its reflection in increased glycolate inhibitor potency.,  22  (23): [PMID:23084901] [10.1016/j.bmcl.2012.10.004]

Source

Source(1):

• Scientific Literature