His-Tyr-Ile-Asn-Leu-Ile-Tyr-Arg-Leu-Arg-Tyr-NH2

ID: ALA274850

Chembl Id: CHEMBL274850

PubChem CID: 25085035

Max Phase: Preclinical

Molecular Formula: C73H111N21O15

Molecular Weight: 1522.82

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

Standard InChI:  InChI=1S/C73H111N21O15/c1-9-40(7)59(93-68(106)54(30-39(5)6)90-67(105)57(35-58(75)98)92-71(109)60(41(8)10-2)94-69(107)56(33-44-19-25-48(97)26-20-44)88-62(100)49(74)34-45-36-81-37-84-45)70(108)91-55(32-43-17-23-47(96)24-18-43)66(104)86-51(14-12-28-83-73(79)80)64(102)89-53(29-38(3)4)65(103)85-50(13-11-27-82-72(77)78)63(101)87-52(61(76)99)31-42-15-21-46(95)22-16-42/h15-26,36-41,49-57,59-60,95-97H,9-14,27-35,74H2,1-8H3,(H2,75,98)(H2,76,99)(H,81,84)(H,85,103)(H,86,104)(H,87,101)(H,88,100)(H,89,102)(H,90,105)(H,91,108)(H,92,109)(H,93,106)(H,94,107)(H4,77,78,82)(H4,79,80,83)/t40-,41-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-/m0/s1

Standard InChI Key:  ZRKBESXKDPPUOL-LJLLXVPASA-N

Alternative Forms

1. Parent:

   

   ALA274850

   His-Tyr-Ile-Asn-Leu-Ile-Tyr-Arg-Leu-Arg-Tyr-NH2

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: 1522.82

Molecular Weight (Monoisotopic): 1521.8569

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. Leban JJ, Heyer D, Landavazo A, Matthews J, Aulabaugh A, Daniels AJ..  (1995)  Novel modified carboxy terminal fragments of neuropeptide Y with high affinity for Y2-type receptors and potent functional antagonism at a Y1-type receptor.,  38  (7): [PMID:7707318] [10.1021/jm00007a012]

Source

Source(1):

• Scientific Literature