FLLSLGIHL

ID: ALA430065

Chembl Id: CHEMBL430065

PubChem CID: 10124164

Max Phase: Preclinical

Molecular Formula: C50H81N11O11

Molecular Weight: 1012.26

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)O

Standard InChI:  InChI=1S/C50H81N11O11/c1-11-31(10)42(49(70)58-38(22-33-23-52-26-54-33)47(68)59-39(50(71)72)20-30(8)9)61-41(63)24-53-44(65)35(17-27(2)3)56-48(69)40(25-62)60-46(67)37(19-29(6)7)57-45(66)36(18-28(4)5)55-43(64)34(51)21-32-15-13-12-14-16-32/h12-16,23,26-31,34-40,42,62H,11,17-22,24-25,51H2,1-10H3,(H,52,54)(H,53,65)(H,55,64)(H,56,69)(H,57,66)(H,58,70)(H,59,68)(H,60,67)(H,61,63)(H,71,72)/t31-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1

Standard InChI Key:  QHUWBCGEFDNKRM-ZCZCLMAQSA-N

Alternative Forms

1. Parent:

   

   ALA430065

   H-Phe-Leu-Leu-Ser-Leu-Gly-Ile-His-Leu-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: 1012.26

Molecular Weight (Monoisotopic): 1011.6117

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References

1. Doytchinova IA, Flower DR..  (2001)  Toward the quantitative prediction of T-cell epitopes: coMFA and coMSIA studies of peptides with affinity for the class I MHC molecule HLA-A*0201.,  44  (22): [PMID:11606121] [10.1021/jm010021j]

Source

Source(1):

• Scientific Literature