(S)-4-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino)-3-((R)-2-((S)-2-((2S,5S,8R,15R)-15-(6-hydrazineylnicotinamido)-5-(4-hydroxybenzyl)-2-methyl-3,6,14,18-tetraoxo-1,4,7,13-tetraazacyclooctadecane-8-carboxamido)-3-(1H-indol-3-yl)propanamido)-5-(methylthio)pentanamido)-4-oxobutanoic acid

ID: ALA5273681

Chembl Id: CHEMBL5273681

Max Phase: Preclinical

Molecular Formula: C59H74N14O13S

Molecular Weight: 1219.39

Names and Identifiers

Canonical SMILES:  CSCCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCNC(=O)[C@H](NC(=O)c2ccc(NN)nc2)CCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

Standard InChI:  InChI=1S/C59H74N14O13S/c1-33-52(79)70-45(28-35-17-20-38(74)21-18-35)57(84)67-41(15-8-9-25-62-54(81)43(22-24-49(75)65-33)66-53(80)36-19-23-48(73-61)64-31-36)55(82)71-46(29-37-32-63-40-14-7-6-13-39(37)40)58(85)68-42(16-10-26-87-2)56(83)72-47(30-50(76)77)59(86)69-44(51(60)78)27-34-11-4-3-5-12-34/h3-7,11-14,17-21,23,31-33,41-47,63,74H,8-10,15-16,22,24-30,61H2,1-2H3,(H2,60,78)(H,62,81)(H,64,73)(H,65,75)(H,66,80)(H,67,84)(H,68,85)(H,69,86)(H,70,79)(H,71,82)(H,72,83)(H,76,77)/t33-,41+,42+,43+,44-,45-,46-,47-/m0/s1

Standard InChI Key:  ZJBVXCPZNIRQAZ-IYUXVQPDSA-N

Alternative Forms

1. Parent:

   

   ALA5273681

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1219.39

Molecular Weight (Monoisotopic): 1218.5280

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References

1. Askari Rizvi SF, Zhang H..  (2021)  Emerging trends of receptor-mediated tumor targeting peptides: A review with perspective from molecular imaging modalities.,  221  [PMID:34022717] [10.1016/j.ejmech.2021.113538]

Source

Source(1):

• Scientific Literature