(4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[2-[[(1S)-1-[[(1S)-2-[[2-[[(1R)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl]-3-carboxypropyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxoethyl]amino]-1-(carboxymethyl)-2-oxoethyl]carbamoyl]-3-methylsulfanylpropyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

ID: ALA4849630

Chembl Id: CHEMBL4849630

PubChem CID: 164610002

Max Phase: Preclinical

Molecular Formula: C54H90N16O23S3

Molecular Weight: 1427.60

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CSCC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(N)=O

Standard InChI:  InChI=1S/C54H90N16O23S3/c1-24(2)16-31(44(57)83)66-47(86)29(10-12-41(79)80)65-53(92)36(23-95)62-39(76)20-59-46(85)33(18-42(81)82)68-48(87)30(13-15-96-5)61-38(75)19-58-45(84)28(9-11-40(77)78)64-51(90)34(21-71)69-54(93)43(25(3)72)70-49(88)27(8-6-7-14-55)63-50(89)32(17-37(56)74)67-52(91)35(22-94)60-26(4)73/h24-25,27-36,43,71-72,94-95H,6-23,55H2,1-5H3,(H2,56,74)(H2,57,83)(H,58,84)(H,59,85)(H,60,73)(H,61,75)(H,62,76)(H,63,89)(H,64,90)(H,65,92)(H,66,86)(H,67,91)(H,68,87)(H,69,93)(H,70,88)(H,77,78)(H,79,80)(H,81,82)/t25-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,43+/m1/s1

Standard InChI Key:  LBSJIZBYRZVTNK-OVPJFHAQSA-N

Alternative Forms

1. Parent:

   

   ALA4849630

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1427.60

Molecular Weight (Monoisotopic): 1426.5527

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References

1.  (2015)  Antagonistic peptides for frizzled-1 and frizzled-2, 

2.  (2013)  Antagonistic peptides for frizzled-1 and frizzled-2, 

Source

Source(1):

• Patent Bioactivity Data