TSFAEYWNLLSP

ID: ALA3347578

Chembl Id: CHEMBL3347578

PubChem CID: 78225050

Max Phase: Preclinical

Molecular Formula: C68H94N14O20

Molecular Weight: 1427.58

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

Standard InChI:  InChI=1S/C68H94N14O20/c1-34(2)25-45(60(93)74-46(26-35(3)4)61(94)81-52(33-84)67(100)82-24-12-17-53(82)68(101)102)75-64(97)50(30-54(69)87)79-63(96)49(29-40-31-71-43-16-11-10-15-42(40)43)78-62(95)48(28-39-18-20-41(86)21-19-39)76-58(91)44(22-23-55(88)89)73-57(90)36(5)72-59(92)47(27-38-13-8-7-9-14-38)77-65(98)51(32-83)80-66(99)56(70)37(6)85/h7-11,13-16,18-21,31,34-37,44-53,56,71,83-86H,12,17,22-30,32-33,70H2,1-6H3,(H2,69,87)(H,72,92)(H,73,90)(H,74,93)(H,75,97)(H,76,91)(H,77,98)(H,78,95)(H,79,96)(H,80,99)(H,81,94)(H,88,89)(H,101,102)/t36-,37+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/m0/s1

Standard InChI Key:  IAOFKRFVYOFYTI-KEQPWATNSA-N

Alternative Forms

1. Parent:

   

   ALA3347578

   (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphen

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: 1427.58

Molecular Weight (Monoisotopic): 1426.6769

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References

1. Macchiarulo A, Giacche N, Carotti A, Moretti F, Pellicciari R.  (2011)  Expanding the horizon of chemotherapeutic targets: From MDM2 to MDMX (MDM4),  2  (6): [10.1039/C0MD00238K]

2. Li X, Liu C, Chen S, Hu H, Su J, Zou Y..  (2017)  d-Amino acid mutation of PMI as potent dual peptide inhibitors of p53-MDM2/MDMX interactions.,  27  (20): [PMID:28916339] [10.1016/j.bmcl.2017.09.014]

3. Zhang S, Lou J, Li Y, Zhou F, Yan Z, Lyu X, Zhao Y..  (2021)  Recent Progress and Clinical Development of Inhibitors that Block MDM4/p53 Protein-Protein Interactions.,  64  (15.0): [PMID:34286973] [10.1021/acs.jmedchem.1c00940]

Source

Source(1):

• Scientific Literature