2-[4-[2-[[(1S)-4-amino-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-2-oxo-ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

ID: ALA3942065

Chembl Id: CHEMBL3942065

PubChem CID: 134146298

Max Phase: Preclinical

Molecular Formula: C59H91N17O16S

Molecular Weight: 1326.55

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(C)C)C(N)=O

Standard InChI:  InChI=1S/C59H91N17O16S/c1-34(2)23-43(57(90)69-41(53(61)86)13-22-93-6)70-58(91)45(25-38-27-62-33-65-38)68-47(78)28-64-59(92)52(35(3)4)72-54(87)36(5)66-56(89)44(24-37-26-63-40-10-8-7-9-39(37)40)71-55(88)42(11-12-46(60)77)67-48(79)29-73-14-16-74(30-49(80)81)18-20-76(32-51(84)85)21-19-75(17-15-73)31-50(82)83/h7-10,26-27,33-36,41-45,52,63H,11-25,28-32H2,1-6H3,(H2,60,77)(H2,61,86)(H,62,65)(H,64,92)(H,66,89)(H,67,79)(H,68,78)(H,69,90)(H,70,91)(H,71,88)(H,72,87)(H,80,81)(H,82,83)(H,84,85)/t36-,41-,42-,43-,44-,45-,52-/m0/s1

Standard InChI Key:  DWQYUMUCAKQGBU-AAMQAVQQSA-N

Alternative Forms

1. Parent:

   

   ALA3942065

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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: 1326.55

Molecular Weight (Monoisotopic): 1325.6550

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References

1.  (2011)  Gastrin releasing peptide compounds, 

Source

Source(1):

• Patent Bioactivity Data