H-Glu-Gly-Leu-Asn-pTyr-Hfe-Val-Leu-NH2

ID: ALA2371864

PubChem CID: 73345604

Max Phase: Preclinical

Molecular Formula: C46H68N9O16PS

Molecular Weight: 1066.14

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O

Standard InChI:  InChI=1S/C46H68N9O16PS/c1-25(2)21-33(41(61)49-24-37(57)50-32(46(66)67)17-18-38(58)59)52-44(64)35(23-36(48)56)54-43(63)34(22-28-11-14-29(15-12-28)71-72(68,69)70)53-42(62)31(19-20-73-5)51-45(65)39(26(3)4)55-40(60)30(47)16-13-27-9-7-6-8-10-27/h6-12,14-15,25-26,30-35,39H,13,16-24,47H2,1-5H3,(H2,48,56)(H,49,61)(H,50,57)(H,51,65)(H,52,64)(H,53,62)(H,54,63)(H,55,60)(H,58,59)(H,66,67)(H2,68,69,70)/t30-,31-,32-,33-,34-,35-,39-/m0/s1

Standard InChI Key:  BJNZTWZBNUGHPQ-GJWSKJNDSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA2371864

   H-hPhe-Val-Met-Tyr(PO3H2)-Asn-Leu-Gly-Glu-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: 1066.14

Molecular Weight (Monoisotopic): 1065.4242

AlogP: ┄

#Rotatable Bonds: ┄

Polar Surface Area: ┄

Molecular Species: ┄

HBA: ┄

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): ┄

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: ┄

CX LogD: ┄

Aromatic Rings: ┄

Heavy Atoms: ┄

QED Weighted: ┄

Np Likeness Score: ┄

References

1. Imhof D, Wieligmann K, Hampel K, Nothmann D, Zoda MS, Schmidt-Arras D, Zacharias M, Böhmer FD, Reissmann S..  (2005)  Design and biological evaluation of linear and cyclic phosphopeptide ligands of the N-terminal SH2 domain of protein tyrosine phosphatase SHP-1.,  48  (5): [PMID:15743195] [10.1021/jm049151t]

Source

Source(1):

• Scientific Literature